methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
TL;DR: methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate (CAS 488723-90-6) is a chemical compound with molecular formula C14H16F3N3O3S and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate, (S)-methyl 2-acetamido-2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoropropanoate, 2-Acetylamino-2-(3-cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester, methyl 2-acetamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate
| Molecular Formula | C14H16F3N3O3S |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 2.4702 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.08646 |
| Heavy Atoms | 24 |
| Complexity | 693.90753 |
Chemical Identifiers
| CAS Number | 488723-90-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)C |
Product Overview
methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate (CAS 488723-90-6), with molecular formula C14H16F3N3O3S and molecular weight 363.09 g/mol. IUPAC: methyl 2-acetamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Property Insights of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
The XLogP value of 2.4702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate has 2 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 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate?
The CAS number of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate is 488723-90-6.
What is the molecular formula of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate?
The molecular formula of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate is C14H16F3N3O3S.
What is the molecular weight of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate?
The molecular weight of methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate is 363.09 g/mol.
Where can I buy methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate?
You can request a quote for methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.