![Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate structure](/static/products/5869/586995-79-1.webp)
Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
TL;DR: Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate (CAS 586995-79-1) is a chemical compound with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, F2715-0039, methyl 4-(2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-({[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-{2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
| Molecular Formula | C18H23N5O3S |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.557 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.15216 |
| Heavy Atoms | 27 |
| Complexity | 799.8285 |
Chemical Identifiers
| CAS Number | 586995-79-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3 |
Product Overview
Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate (CAS 586995-79-1), with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol. IUPAC: methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Property Insights of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
The XLogP value of 2.557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate?
The CAS number of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate is 586995-79-1.
What is the molecular formula of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate?
The molecular formula of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate is C18H23N5O3S.
What is the molecular weight of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate?
The molecular weight of Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate is 389.15 g/mol.
Where can I buy Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate?
You can request a quote for Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.