![methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate structure](/static/products/7288/728894-03-9.webp)
methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
TL;DR: methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 728894-03-9) is a chemical compound with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 2-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 2-(2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate, 2-[[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 1.5713 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 960.31244 |
Chemical Identifiers
| CAS Number | 728894-03-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 728894-03-9), with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol. IUPAC: methyl 2-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Property Insights of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
The XLogP value of 1.5713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The CAS number of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 728894-03-9.
What is the molecular formula of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular formula of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is C17H16N6O3S.
What is the molecular weight of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular weight of methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 384.10 g/mol.
Where can I buy methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
You can request a quote for methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.