![Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate structure](/static/products/3156/315696-26-5.webp)
Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate
TL;DR: Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate (CAS 315696-26-5) is a chemical compound with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate
Also Known As: F1174-1987, AF-399/15335279, METHYL 4-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)BENZOATE, methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate, methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate
| Molecular Formula | C16H14N4O3S |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.07867 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 315696-26-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=CC=C3 |
| InChIKey | RKNMTJWFJRFXMQ-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate (CAS 315696-26-5), with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol. IUPAC: methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate
Property Insights of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate is 315696-26-5.
What is the molecular formula of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate is C16H14N4O3S.
What is the molecular weight of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate is 342.08 g/mol.
Where can I buy Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)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-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.