CS-1001004
5-[[Hexahydro-4-[(4-methylphenyl)sulfonyl]-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline
Manufacturer: ChemScene
CAS Number: 1314322-31-0
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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
C₂₁H₂₃N₃O₄S₂
Molecular Weight
445.56
Synonyms
None
SMILES
O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CCC2)S(=O)(=O)C3=CC=CC=4C=NC=CC43
Tpsa
87.65
Logp
2.62852
H Acceptors
5
H Donors
0
Rotatable Bonds
4
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: C₂₁H₂₃N₃O₄S₂
Molecular Weight: 445.56
Synonyms: None
SMILES: O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CCC2)S(=O)(=O)C3=CC=CC=4C=NC=CC43
Tpsa: 87.65
Logp: 2.62852
H Acceptors: 5
H Donors: 0
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:
C₂₁H₂₃N₃O₄S₂
Molecular Weight:
445.56
Synonyms:
None
SMILES:
O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CCC2)S(=O)(=O)C3=CC=CC=4C=NC=CC43
Tpsa:
87.65
Logp:
2.62852
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₄O₅
Molecular Weight: 238.24
Synonyms: None
SMILES: O=C(O)C1=CC(OC)=CC=C1C(C(=O)O)(C)C
Tpsa: 83.83
Logp: 1.7556
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₄O₅
Molecular Weight:
238.24
Synonyms:
None
SMILES:
O=C(O)C1=CC(OC)=CC=C1C(C(=O)O)(C)C
Tpsa:
83.83
Logp:
1.7556
H Acceptors:
3
H Donors:
2
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: C₂₃H₂₇N₃O
Molecular Weight: 361.48
Synonyms: None
SMILES: O=C(N(CC=1C=CC=2C=3C=CC=CC3C4=NN4C2C1)CC(C)C)CCCC
Tpsa: 35.68
Logp: 5.0236
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₇N₃O
Molecular Weight:
361.48
Synonyms:
None
SMILES:
O=C(N(CC=1C=CC=2C=3C=CC=CC3C4=NN4C2C1)CC(C)C)CCCC
Tpsa:
35.68
Logp:
5.0236
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₇NO₃
Molecular Weight: 295.33
Synonyms: None
SMILES: O=C1N(CC=2C1=CC=CC2)C3=CC=C([C@H](C(O)=O)CC)C=C3
Tpsa: 57.61
Logp: 3.4252
H Acceptors: 2
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:
C₁₈H₁₇NO₃
Molecular Weight:
295.33
Synonyms:
None
SMILES:
O=C1N(CC=2C1=CC=CC2)C3=CC=C([C@H](C(O)=O)CC)C=C3
Tpsa:
57.61
Logp:
3.4252
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4