CS-0874373
N-(13-Oxo-3,6,9-trioxa-12-azapentadec-14-en-1-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
Manufacturer: ChemScene
CAS Number: 1192706-75-4
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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
C₂₁H₃₆N₄O₆S
Molecular Weight
472.60
Synonyms
None
SMILES
O=C(NCCOCCOCCOCCNC(C=C)=O)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Tpsa
127.02
Logp
0.1804
H Acceptors
7
H Donors
4
Rotatable Bonds
18
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: C₂₁H₃₆N₄O₆S
Molecular Weight: 472.60
Synonyms: None
SMILES: O=C(NCCOCCOCCOCCNC(C=C)=O)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Tpsa: 127.02
Logp: 0.1804
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₆N₄O₆S
Molecular Weight:
472.60
Synonyms:
None
SMILES:
O=C(NCCOCCOCCOCCNC(C=C)=O)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Tpsa:
127.02
Logp:
0.1804
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉BO₄
Molecular Weight: 262.11
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(B2OCC(C)(C)CO2)C=C1
Tpsa: 44.76
Logp: 1.6315
H Acceptors: 4
H Donors: 0
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:
C₁₄H₁₉BO₄
Molecular Weight:
262.11
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(B2OCC(C)(C)CO2)C=C1
Tpsa:
44.76
Logp:
1.6315
H Acceptors:
4
H Donors:
0
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: C₁₀H₆BrClN₂
Molecular Weight: 269.53
Synonyms: None
SMILES: C1=CC(=C(N=C1)C2=NC=C(C=C2)Br)Cl
Tpsa: 25.78
Logp: 3.5595
H Acceptors: 2
H Donors: 0
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:
C₁₀H₆BrClN₂
Molecular Weight:
269.53
Synonyms:
None
SMILES:
C1=CC(=C(N=C1)C2=NC=C(C=C2)Br)Cl
Tpsa:
25.78
Logp:
3.5595
H Acceptors:
2
H Donors:
0
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: C₆H₄BrFN₂O₂
Molecular Weight: 235.01
Synonyms: None
SMILES: CC1=C(C(=NC=C1Br)F)[N+](=O)[O-]
Tpsa: 56.03
Logp: 2.19982
H Acceptors: 3
H Donors: 0
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:
C₆H₄BrFN₂O₂
Molecular Weight:
235.01
Synonyms:
None
SMILES:
CC1=C(C(=NC=C1Br)F)[N+](=O)[O-]
Tpsa:
56.03
Logp:
2.19982
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1