CS-0522918
Cyclohexanamine (2S,3S,4S,5R,6S)-6-((5-bromo-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
Manufacturer: ChemScene
CAS Number: 199326-16-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₂₇BrN₂O₇
Molecular Weight
487.34
Synonyms
5-Bromo-3-indoxyl-β-D-glucuronic acid, cyclohexylammonium salt
SMILES
NC1CCCCC1.O(C=1C=2C(NC1)=CC=C(Br)C2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O
Tpsa
158.26
Logp
1.4792
H Acceptors
7
H Donors
6
Rotatable Bonds
3
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₇BrN₂O₇
Molecular Weight: 487.34
Synonyms: 5-Bromo-3-indoxyl-β-D-glucuronic acid, cyclohexylammonium salt
SMILES: NC1CCCCC1.O(C=1C=2C(NC1)=CC=C(Br)C2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O
Tpsa: 158.26
Logp: 1.4792
H Acceptors: 7
H Donors: 6
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₇BrN₂O₇
Molecular Weight:
487.34
Synonyms:
5-Bromo-3-indoxyl-β-D-glucuronic acid, cyclohexylammonium salt
SMILES:
NC1CCCCC1.O(C=1C=2C(NC1)=CC=C(Br)C2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O
Tpsa:
158.26
Logp:
1.4792
H Acceptors:
7
H Donors:
6
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀N₂O₄
Molecular Weight: 234.21
Synonyms: Ethyl 4-Cyano-2-nitrophenylacetate
SMILES: O=C(OCC)CC1=CC=C(C#N)C=C1[N+]([O-])=O
Tpsa: 93.23
Logp: 1.57208
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀N₂O₄
Molecular Weight:
234.21
Synonyms:
Ethyl 4-Cyano-2-nitrophenylacetate
SMILES:
O=C(OCC)CC1=CC=C(C#N)C=C1[N+]([O-])=O
Tpsa:
93.23
Logp:
1.57208
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD20319712
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₇NO₂
Molecular Weight: 171.24
Synonyms: 1-Amino-4,4-dimethylcyclohexanecarboxylic Acid
SMILES: O=C(C1(N)CCC(C)(C)CC1)O
Tpsa: 63.32
Logp: 1.3687
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD20319712
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₇NO₂
Molecular Weight:
171.24
Synonyms:
1-Amino-4,4-dimethylcyclohexanecarboxylic Acid
SMILES:
O=C(C1(N)CCC(C)(C)CC1)O
Tpsa:
63.32
Logp:
1.3687
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈F₃NO₃S
Molecular Weight: 325.35
Synonyms: N,N-Diisopropyl-4-(trifluoromethoxy)-benzenesulfonamide
SMILES: O=S(C1=CC=C(OC(F)(F)F)C=C1)(N(C(C)C)C(C)C)=O
Tpsa: 46.61
Logp: 3.3927
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈F₃NO₃S
Molecular Weight:
325.35
Synonyms:
N,N-Diisopropyl-4-(trifluoromethoxy)-benzenesulfonamide
SMILES:
O=S(C1=CC=C(OC(F)(F)F)C=C1)(N(C(C)C)C(C)C)=O
Tpsa:
46.61
Logp:
3.3927
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5