CS-0895792
5-((2-Nitrophenyl)sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1338563-27-1
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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
C₁₄H₁₄N₄O₆S
Molecular Weight
366.35
Synonyms
None
SMILES
O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)O
Tpsa
135.64
Logp
1.0841
H Acceptors
7
H Donors
1
Rotatable Bonds
4
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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: C₁₄H₁₄N₄O₆S
Molecular Weight: 366.35
Synonyms: None
SMILES: O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)O
Tpsa: 135.64
Logp: 1.0841
H Acceptors: 7
H Donors: 1
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:
C₁₄H₁₄N₄O₆S
Molecular Weight:
366.35
Synonyms:
None
SMILES:
O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)O
Tpsa:
135.64
Logp:
1.0841
H Acceptors:
7
H Donors:
1
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: C₇H₉N₃O₂
Molecular Weight: 167.17
Synonyms: None
SMILES: NC1=NC(C)=C([N+]([O-])=O)C=C1C
Tpsa: 82.05
Logp: 1.18884
H Acceptors: 4
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:
C₇H₉N₃O₂
Molecular Weight:
167.17
Synonyms:
None
SMILES:
NC1=NC(C)=C([N+]([O-])=O)C=C1C
Tpsa:
82.05
Logp:
1.18884
H Acceptors:
4
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: C₁₀H₁₄ClN₃O₂
Molecular Weight: 243.69
Synonyms: None
SMILES: O=C(C1=NN2C(CNCCC2)=C1Cl)OCC
Tpsa: 56.15
Logp: 1.2065
H Acceptors: 5
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:
C₁₀H₁₄ClN₃O₂
Molecular Weight:
243.69
Synonyms:
None
SMILES:
O=C(C1=NN2C(CNCCC2)=C1Cl)OCC
Tpsa:
56.15
Logp:
1.2065
H Acceptors:
5
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: C₆H₁₁ClN₂O₃
Molecular Weight: 194.62
Synonyms: 2-Piperazinecarboxylicacid,6-oxo-,methylester(9CI) (hydrochloride)
SMILES: O=C1NC(CNC1)C(OC)=O.Cl
Tpsa: 67.43
Logp: -1.3308
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:
C₆H₁₁ClN₂O₃
Molecular Weight:
194.62
Synonyms:
2-Piperazinecarboxylicacid,6-oxo-,methylester(9CI) (hydrochloride)
SMILES:
O=C1NC(CNC1)C(OC)=O.Cl
Tpsa:
67.43
Logp:
-1.3308
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1