CS-0895790
Ethyl 5-((2-nitrophenyl)sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Manufacturer: ChemScene
CAS Number: 1338563-26-0
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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
C₁₆H₁₈N₄O₆S
Molecular Weight
394.40
Synonyms
None
SMILES
O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)OCC
Tpsa
124.64
Logp
1.5626
H Acceptors
8
H Donors
0
Rotatable Bonds
5
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: C₁₆H₁₈N₄O₆S
Molecular Weight: 394.40
Synonyms: None
SMILES: O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)OCC
Tpsa: 124.64
Logp: 1.5626
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈N₄O₆S
Molecular Weight:
394.40
Synonyms:
None
SMILES:
O=C(C1=NN2C(CN(S(=O)(C3=CC=CC=C3[N+]([O-])=O)=O)CCC2)=C1)OCC
Tpsa:
124.64
Logp:
1.5626
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₈BNO₃
Molecular Weight: 329.24
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC=C3C(OC4(CCN(C)CC4)C3)=C2)O1
Tpsa: 30.93
Logp: 2.3851
H Acceptors: 4
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:
C₁₉H₂₈BNO₃
Molecular Weight:
329.24
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC=C3C(OC4(CCN(C)CC4)C3)=C2)O1
Tpsa:
30.93
Logp:
2.3851
H Acceptors:
4
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: 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