N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide (CAS 896306-13-1) is a chemical compound with molecular formula C16H15FN2OS2 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide
Also Known As: F2590-0114, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-[(4-fluorophenyl)sulfanyl]propanamide, N-(3-cyano-4,5-dimethyl-2-thienyl)3-(p-fluorophenylthio)propionamide
| Molecular Formula | C16H15FN2OS2 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 4.49662 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.06097 |
| Heavy Atoms | 22 |
| Complexity | 716.9824 |
Chemical Identifiers
| CAS Number | 896306-13-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=C(C=C2)F)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide (CAS 896306-13-1), with molecular formula C16H15FN2OS2 and molecular weight 334.06 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide
The XLogP value of 4.49662 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide has 1 hydrogen bond donor(s) and 4 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 N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide is 896306-13-1.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide is C16H15FN2OS2.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide is 334.06 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-((4-fluorophenyl)thio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.