![methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/841/841209-73-2.png)
methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 841209-73-2) is a chemical compound with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-[[2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-(2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-{2-[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zoate
| Molecular Formula | C20H21N5O4S |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 2.575 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.13144 |
| Heavy Atoms | 30 |
| Complexity | 1018.681 |
Chemical Identifiers
| CAS Number | 841209-73-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 841209-73-2), with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol. IUPAC: methyl 4-[[2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 2.575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate has 2 hydrogen bond donor(s) and 8 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-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 841209-73-2.
What is the molecular formula of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C20H21N5O4S.
What is the molecular weight of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 427.13 g/mol.
Where can I buy methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-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-[({[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({[4-amino-5-(4-ethoxyphenyl)-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.