2-[(4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Name: 2-[(4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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CAS No. 793727-50-1
Cat. No. CS-0223030
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-[(4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid|CS-0223030

Structure of 793727-50-1

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General Information

CAS No. 793727-50-1
Cat. No. CS-0223030
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₄N₄O₃S
Molecular Weight 376.47
Synonym(s) None
SMILES O=C(O)CSC1=NN=C(CNC2=CC=CC(OC)=C2)N1C3CCCCC3

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 89.27
LogP 3.5807
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 8

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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2-[(4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid

CAS No. 793727-50-1

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