CS-0044385
rel-Methyl 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoate
Manufacturer: ChemScene
CAS Number: 1803274-45-4
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₇H₃₂F₃N₃O₃
Molecular Weight
503.56
Synonyms
None
SMILES
O=C(OC)CCC1=CC=C2C(N=C(NC3=CC=C(OC(F)(F)F)C=C3)N2[C@H]4CC(C)(C)C[C@@H](C)C4)=C1
Tpsa
65.38
Logp
7.1714
H Acceptors
6
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1803274-45-4 | rel-Methyl 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoate | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₂F₃N₃O₃
Molecular Weight: 503.56
Synonyms: None
SMILES: O=C(OC)CCC1=CC=C2C(N=C(NC3=CC=C(OC(F)(F)F)C=C3)N2[C@H]4CC(C)(C)C[C@@H](C)C4)=C1
Tpsa: 65.38
Logp: 7.1714
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₂F₃N₃O₃
Molecular Weight:
503.56
Synonyms:
None
SMILES:
O=C(OC)CCC1=CC=C2C(N=C(NC3=CC=C(OC(F)(F)F)C=C3)N2[C@H]4CC(C)(C)C[C@@H](C)C4)=C1
Tpsa:
65.38
Logp:
7.1714
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄₆H₂₄₁N₄₃O₄₇S₂
Molecular Weight: 3414.91
Synonyms: Thyrocalcitonin eel
SMILES: C([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CN=CN2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(=O)[C@H]3NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC3)[H])[C@@H](C)C)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CO)=O)CCC(N)=O)=O)CCC(O)=O)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CCC(N)=O)=O)[C@@H](C)O)=O)(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(=O)N5[C@H](C(N)=O)CCC5)[C@@H](C)O)=O)=O)C)=O)=O)C(C)C)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)CCC4
Tpsa: 1461.96
Logp: -18.6268
H Acceptors: 52
H Donors: 50
Rotatable Bonds: 97
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄₆H₂₄₁N₄₃O₄₇S₂
Molecular Weight:
3414.91
Synonyms:
Thyrocalcitonin eel
SMILES:
C([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CN=CN2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(=O)[C@H]3NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC3)[H])[C@@H](C)C)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CO)=O)CCC(N)=O)=O)CCC(O)=O)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CCC(N)=O)=O)[C@@H](C)O)=O)(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(=O)N5[C@H](C(N)=O)CCC5)[C@@H](C)O)=O)=O)C)=O)=O)C(C)C)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)CCC4
Tpsa:
1461.96
Logp:
-18.6268
H Acceptors:
52
H Donors:
50
Rotatable Bonds:
97
Purity: 98%
MDL No: MFCD13190262
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrNO
Molecular Weight: 212.04
Synonyms: 2-bromo-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILES: O=C1CCC2=NC(Br)=CC=C21
Tpsa: 29.96
Logp: 1.973
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD13190262
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrNO
Molecular Weight:
212.04
Synonyms:
2-bromo-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILES:
O=C1CCC2=NC(Br)=CC=C21
Tpsa:
29.96
Logp:
1.973
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD28986155
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClNO₃
Molecular Weight: 217.65
Synonyms: None
SMILES: N[C@@H](CC1=CC=CC=C1O)C(O)=O.[H]Cl
Tpsa: 83.55
Logp: 0.7684
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
97%
MDL No:
MFCD28986155
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClNO₃
Molecular Weight:
217.65
Synonyms:
None
SMILES:
N[C@@H](CC1=CC=CC=C1O)C(O)=O.[H]Cl
Tpsa:
83.55
Logp:
0.7684
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3