A2335/0098540
TL;DR: A2335/0098540 (CAS 352317-29-4) is a chemical compound with molecular formula C16H20F3N3O3S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: A2335/0098540, 2-(3-Cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-3,3,3-trifluoro-2-propionylamino-propionic acid ethyl ester, ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate, ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-(propionylamino)propanoate, ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
| Molecular Formula | C16H20F3N3O3S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.2504 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.11774 |
| Heavy Atoms | 26 |
| Complexity | 724.7929 |
Chemical Identifiers
| CAS Number | 352317-29-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC)C |
Product Overview
A2335/0098540 (CAS 352317-29-4), with molecular formula C16H20F3N3O3S and molecular weight 391.12 g/mol. IUPAC: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of A2335/0098540
Property Insights of A2335/0098540
The XLogP value of 3.2504 indicates that A2335/0098540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A2335/0098540. Following Lipinski's Rule of Five, A2335/0098540 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 A2335/0098540?
The CAS number of A2335/0098540 is 352317-29-4.
What is the molecular formula of A2335/0098540?
The molecular formula of A2335/0098540 is C16H20F3N3O3S.
What is the molecular weight of A2335/0098540?
The molecular weight of A2335/0098540 is 391.12 g/mol.
Where can I buy A2335/0098540?
You can request a quote for A2335/0098540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2335/0098540?
Yes, KEHONG BIO provides custom synthesis services for A2335/0098540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.