![methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate structure](/static/products/6897/689751-37-9.webp)
methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
TL;DR: methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 689751-37-9) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-{[4-(2-methoxyphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl [(4-(2-methoxyphenyl)-5-{[(3-methylbenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate, 2-[[4-(2-methoxyphenyl)-5-[(m-toluoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester, 2-[[4-(2-methoxyphenyl)-5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.77942 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1050.9906 |
Chemical Identifiers
| CAS Number | 689751-37-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)OC |
Product Overview
methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 689751-37-9), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Property Insights of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
The XLogP value of 2.77942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate has 1 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 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate?
The CAS number of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate is 689751-37-9.
What is the molecular formula of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular formula of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate is C21H22N4O4S.
What is the molecular weight of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular weight of methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate is 426.14 g/mol.
Where can I buy methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate?
You can request a quote for methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.