CS-1047918
1H-1,5-Benzodiazepine-1-carboxylic acid, 7-bromo-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3,4,5-tetrahydro-4-oxo-, 1,1-dimethylethyl ester, (3S)-
Manufacturer: ChemScene
CAS Number: 3030959-41-9
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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
C₁₉H₂₆BrN₃O₅
Molecular Weight
456.33
Synonyms
None
SMILES
O=C(N1C[C@H](NC(OC(C)(C)C)=O)C(NC2=CC(Br)=CC=C21)=O)OC(C)(C)C
Tpsa
96.97
Logp
4.036
H Acceptors
5
H Donors
2
Rotatable Bonds
1
Related Products
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: C₁₉H₂₆BrN₃O₅
Molecular Weight: 456.33
Synonyms: None
SMILES: O=C(N1C[C@H](NC(OC(C)(C)C)=O)C(NC2=CC(Br)=CC=C21)=O)OC(C)(C)C
Tpsa: 96.97
Logp: 4.036
H Acceptors: 5
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:
C₁₉H₂₆BrN₃O₅
Molecular Weight:
456.33
Synonyms:
None
SMILES:
O=C(N1C[C@H](NC(OC(C)(C)C)=O)C(NC2=CC(Br)=CC=C21)=O)OC(C)(C)C
Tpsa:
96.97
Logp:
4.036
H Acceptors:
5
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: C₉H₁₈ClNO₂
Molecular Weight: 207.70
Synonyms: None
SMILES: OC1(C2COCC2)CCNCC1.[H]Cl
Tpsa: 41.49
Logp: 0.5592
H Acceptors: 3
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:
C₉H₁₈ClNO₂
Molecular Weight:
207.70
Synonyms:
None
SMILES:
OC1(C2COCC2)CCNCC1.[H]Cl
Tpsa:
41.49
Logp:
0.5592
H Acceptors:
3
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: C₁₇H₂₃BrN₂O₄
Molecular Weight: 399.28
Synonyms: None
SMILES: CC(N1C2=CC(Br)=CC=C2OC[C@@H](C1=O)NC(OC(C)(C)C)=O)C
Tpsa: 67.87
Logp: 3.4762
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃BrN₂O₄
Molecular Weight:
399.28
Synonyms:
None
SMILES:
CC(N1C2=CC(Br)=CC=C2OC[C@@H](C1=O)NC(OC(C)(C)C)=O)C
Tpsa:
67.87
Logp:
3.4762
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₉ClN₂
Molecular Weight: 214.73
Synonyms: None
SMILES: N#CC1(C2CCCC2)CCNCC1.[H]Cl
Tpsa: 35.82
Logp: 2.49178
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₉ClN₂
Molecular Weight:
214.73
Synonyms:
None
SMILES:
N#CC1(C2CCCC2)CCNCC1.[H]Cl
Tpsa:
35.82
Logp:
2.49178
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1