CS-0134230
3-Bromo-8-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1094091-91-4
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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
C₁₃H₁₈BrN₃O₄
Molecular Weight
360.20
Synonyms
5H-Imidazo[1,5-a][1,4]diazepine-1,8(9H)-dicarboxylic acid, 3-bromo-6,7-dihydro-, 8-(1,1-dimethylethyl) ester
SMILES
O=C(C1=C2N(C(Br)=N1)CCCN(C(OC(C)(C)C)=O)C2)O
Tpsa
84.66
Logp
2.4846
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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: C₁₃H₁₈BrN₃O₄
Molecular Weight: 360.20
Synonyms: 5H-Imidazo[1,5-a][1,4]diazepine-1,8(9H)-dicarboxylic acid, 3-bromo-6,7-dihydro-, 8-(1,1-dimethylethyl) ester
SMILES: O=C(C1=C2N(C(Br)=N1)CCCN(C(OC(C)(C)C)=O)C2)O
Tpsa: 84.66
Logp: 2.4846
H Acceptors: 5
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:
C₁₃H₁₈BrN₃O₄
Molecular Weight:
360.20
Synonyms:
5H-Imidazo[1,5-a][1,4]diazepine-1,8(9H)-dicarboxylic acid, 3-bromo-6,7-dihydro-, 8-(1,1-dimethylethyl) ester
SMILES:
O=C(C1=C2N(C(Br)=N1)CCCN(C(OC(C)(C)C)=O)C2)O
Tpsa:
84.66
Logp:
2.4846
H Acceptors:
5
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: C₈H₉ClF₃N₃O₂
Molecular Weight: 271.62
Synonyms: 3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acid hydrochloride
SMILES: O=C(C1=C2CNCCN2C(C(F)(F)F)=N1)O.[H]Cl
Tpsa: 67.15
Logp: 1.1251
H Acceptors: 4
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:
C₈H₉ClF₃N₃O₂
Molecular Weight:
271.62
Synonyms:
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acid hydrochloride
SMILES:
O=C(C1=C2CNCCN2C(C(F)(F)F)=N1)O.[H]Cl
Tpsa:
67.15
Logp:
1.1251
H Acceptors:
4
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: C₈H₈F₃N₃O₂
Molecular Weight: 235.16
Synonyms: None
SMILES: O=C(O)C1=C2CNCCN2C(C(F)(F)F)=N1
Tpsa: 67.15
Logp: 0.7033
H Acceptors: 4
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:
C₈H₈F₃N₃O₂
Molecular Weight:
235.16
Synonyms:
None
SMILES:
O=C(O)C1=C2CNCCN2C(C(F)(F)F)=N1
Tpsa:
67.15
Logp:
0.7033
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 95+%
MDL No: MFCD05225562
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇N₃O₂
Molecular Weight: 153.14
Synonyms: Amino(pyrazin-2-yl)acetic acid
SMILES: O=C(C(C1=NC=CN=C1)N)O
Tpsa: 89.1
Logp: -0.439
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD05225562
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇N₃O₂
Molecular Weight:
153.14
Synonyms:
Amino(pyrazin-2-yl)acetic acid
SMILES:
O=C(C(C1=NC=CN=C1)N)O
Tpsa:
89.1
Logp:
-0.439
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2