CS-0979630
5-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2966013-27-2
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₈ClN₃O₄
Molecular Weight
315.75
Synonyms
None
SMILES
O=C(O)C1=NN2C(=C1Cl)CN(C(=O)OC(C)(C)C)CCC2
Tpsa
84.66
Logp
2.3755
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈ClN₃O₄
Molecular Weight: 315.75
Synonyms: None
SMILES: O=C(O)C1=NN2C(=C1Cl)CN(C(=O)OC(C)(C)C)CCC2
Tpsa: 84.66
Logp: 2.3755
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈ClN₃O₄
Molecular Weight:
315.75
Synonyms:
None
SMILES:
O=C(O)C1=NN2C(=C1Cl)CN(C(=O)OC(C)(C)C)CCC2
Tpsa:
84.66
Logp:
2.3755
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: C₁₇H₂₇ClN₄O₄
Molecular Weight: 386.87
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=NN2C(=C1Cl)CN(C(=O)OC(C)(C)C)CCC2
Tpsa: 85.69
Logp: 4.0243
H Acceptors: 6
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:
C₁₇H₂₇ClN₄O₄
Molecular Weight:
386.87
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=NN2C(=C1Cl)CN(C(=O)OC(C)(C)C)CCC2
Tpsa:
85.69
Logp:
4.0243
H Acceptors:
6
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: C₇H₁₁ClN₄
Molecular Weight: 186.64
Synonyms: None
SMILES: ClC=1C(=NN2C1CNCCC2)N
Tpsa: 55.87
Logp: 0.612
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁ClN₄
Molecular Weight:
186.64
Synonyms:
None
SMILES:
ClC=1C(=NN2C1CNCCC2)N
Tpsa:
55.87
Logp:
0.612
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈FN₃O₄
Molecular Weight: 299.30
Synonyms: None
SMILES: O=C(O)C1=NN2C(=C1F)CN(C(=O)OC(C)(C)C)CCC2
Tpsa: 84.66
Logp: 1.8612
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:
C₁₃H₁₈FN₃O₄
Molecular Weight:
299.30
Synonyms:
None
SMILES:
O=C(O)C1=NN2C(=C1F)CN(C(=O)OC(C)(C)C)CCC2
Tpsa:
84.66
Logp:
1.8612
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1