![methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate structure](/static/products/3831/383148-49-0.webp)
methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate
TL;DR: methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate (CAS 383148-49-0) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methylsulfanylanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
Also Known As: methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate, methyl 3-(2-methylsulfanylanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate, methyl (Z)-3-[2-(methylsulfanyl)anilino]-2-(1H-1,2,4-triazol-1-yl)-2-propenoate
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 2.0835 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 610.5935 |
Chemical Identifiers
| CAS Number | 383148-49-0 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC=CC=C1SC)N2C=NC=N2 |
Product Overview
methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate (CAS 383148-49-0), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: methyl 3-(2-methylsulfanylanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate.
Chemical Property Profile of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate
Property Insights of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate
The XLogP value of 2.0835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate. Following Lipinski's Rule of Five, methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate 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 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate?
The CAS number of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate is 383148-49-0.
What is the molecular formula of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate?
The molecular formula of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate is C13H14N4O2S.
What is the molecular weight of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate?
The molecular weight of methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate is 290.08 g/mol.
Where can I buy methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate?
You can request a quote for methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[2-(methylsulfanyl)phenyl]amino}-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.