![methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/6944/694458-25-8.webp)
methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 694458-25-8) is a chemical compound with molecular formula C25H27Cl2N5O4S and molecular weight 563.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[2-[[5-[1-[(2-chlorobenzoyl)amino]-3-methylbutyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-chloro-5-(2-((5-(1-(2-chlorobenzamido)-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-chloro-5-[[2-[[5-[1-[(2-chlorobenzoyl)amino]-3-methylbutyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H27Cl2N5O4S |
|---|---|
| Molecular Weight | 563.12 g/mol |
| LogP | 5.1565 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 563.1161 |
| Heavy Atoms | 37 |
| Complexity | 1297.8364 |
Chemical Identifiers
| CAS Number | 694458-25-8 |
|---|---|
| SMILES | CC(C)CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC(=O)C3=CC=CC=C3Cl |
Product Overview
methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 694458-25-8), with molecular formula C25H27Cl2N5O4S and molecular weight 563.12 g/mol. IUPAC: methyl 2-chloro-5-[[2-[[5-[1-[(2-chlorobenzoyl)amino]-3-methylbutyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 5.1565 indicates that methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 694458-25-8.
What is the molecular formula of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C25H27Cl2N5O4S.
What is the molecular weight of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 563.12 g/mol.
Where can I buy methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-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 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-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.