![methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7082/708251-34-7.webp)
methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 708251-34-7) is a chemical compound with molecular formula C22H22ClN5O4S and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-[2-[(4-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((5-(2-(4-chlorobenzamido)ethyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-[2-[(4-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H22ClN5O4S |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 2.9584 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1081 |
| Heavy Atoms | 33 |
| Complexity | 1132.6929 |
Chemical Identifiers
| CAS Number | 708251-34-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CCNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 708251-34-7), with molecular formula C22H22ClN5O4S and molecular weight 487.11 g/mol. IUPAC: methyl 4-[[2-[[5-[2-[(4-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 2.9584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-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-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 708251-34-7.
What is the molecular formula of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C22H22ClN5O4S.
What is the molecular weight of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 487.11 g/mol.
Where can I buy methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-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-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.