CS-0364163
2-((5-Benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl)cyclohexane-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 543695-32-5
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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
C₂₁H₂₄N₂O₄S
Molecular Weight
400.49
Synonyms
2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SMILES
CC1=C(SC(NC(C2CCCCC2C(O)=O)=O)=C1C(N)=O)CC3=CC=CC=C3
Tpsa
109.49
Logp
3.57572
H Acceptors
4
H Donors
3
Rotatable Bonds
6
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: C₂₁H₂₄N₂O₄S
Molecular Weight: 400.49
Synonyms: 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SMILES: CC1=C(SC(NC(C2CCCCC2C(O)=O)=O)=C1C(N)=O)CC3=CC=CC=C3
Tpsa: 109.49
Logp: 3.57572
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄N₂O₄S
Molecular Weight:
400.49
Synonyms:
2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SMILES:
CC1=C(SC(NC(C2CCCCC2C(O)=O)=O)=C1C(N)=O)CC3=CC=CC=C3
Tpsa:
109.49
Logp:
3.57572
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄N₄O₂S
Molecular Weight: 350.39
Synonyms: [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O
Tpsa: 80.9
Logp: 3.2045
H Acceptors: 6
H Donors: 1
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:
C₁₈H₁₄N₄O₂S
Molecular Weight:
350.39
Synonyms:
[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
SMILES:
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O
Tpsa:
80.9
Logp:
3.2045
H Acceptors:
6
H Donors:
1
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: C₁₅H₁₃NO₄S
Molecular Weight: 303.33
Synonyms: 2-[(5-Formyl-2-methoxybenzyl)sulfanyl]nicotinic acid
SMILES: COC1=C(C=C(C=C1)C=O)CSC2=C(C=CC=N2)C(=O)O
Tpsa: 76.49
Logp: 2.8932
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃NO₄S
Molecular Weight:
303.33
Synonyms:
2-[(5-Formyl-2-methoxybenzyl)sulfanyl]nicotinic acid
SMILES:
COC1=C(C=C(C=C1)C=O)CSC2=C(C=CC=N2)C(=O)O
Tpsa:
76.49
Logp:
2.8932
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀F₃N₅OS
Molecular Weight: 317.29
Synonyms: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILES: N=C1NNC(=N1)SCC(NC2=CC=CC(C(F)(F)F)=C2)=O
Tpsa: 97.42
Logp: 1.96687
H Acceptors: 4
H Donors: 4
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:
C₁₁H₁₀F₃N₅OS
Molecular Weight:
317.29
Synonyms:
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILES:
N=C1NNC(=N1)SCC(NC2=CC=CC(C(F)(F)F)=C2)=O
Tpsa:
97.42
Logp:
1.96687
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
4