![methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate structure](/static/products/372/372980-03-5.png)
methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
TL;DR: methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate (CAS 372980-03-5) is a chemical compound with molecular formula C14H16F3N3O4S and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate
Also Known As: methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate, methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-((methoxycarbonyl)amino)propanoate, methyl 2-[(3-cyano-4-ethyl-5-methyl(2-thienyl))amino]-3,3,3-trifluoro-2-(metho xycarbonylamino)propanoate, Methyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]propanoate #, methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate
| Molecular Formula | C14H16F3N3O4S |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.08136 |
| Heavy Atoms | 25 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 372980-03-5 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)OC)C |
| InChIKey | BZPPRZBFQKRNRD-UHFFFAOYSA-N |
Product Overview
methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate (CAS 372980-03-5), with molecular formula C14H16F3N3O4S and molecular weight 379.08 g/mol. IUPAC: methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate.
Chemical Property Profile of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
Property Insights of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
The XLogP value of 4.1 indicates that methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate. Following Lipinski's Rule of Five, methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate has 2 hydrogen bond donor(s) and 10 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 N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate?
The CAS number of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate is 372980-03-5.
What is the molecular formula of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate?
The molecular formula of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate is C14H16F3N3O4S.
What is the molecular weight of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate?
The molecular weight of methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate is 379.08 g/mol.
Where can I buy methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate?
You can request a quote for methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.