N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide (CAS 896305-98-9) is a chemical compound with molecular formula C15H13FN2OS2 and molecular weight 320.05 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)-2-(4-fluorophenyl)sulfanylacetamide
Also Known As: F2590-0112, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-fluorophenyl)sulfanyl]acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
| Molecular Formula | C15H13FN2OS2 |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 4.10652 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.04532 |
| Heavy Atoms | 21 |
| Complexity | 701.6991 |
Chemical Identifiers
| CAS Number | 896305-98-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=C(C=C2)F)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide (CAS 896305-98-9), with molecular formula C15H13FN2OS2 and molecular weight 320.05 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylacetamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide
The XLogP value of 4.10652 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide 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)-2-((4-fluorophenyl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide 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)-2-((4-fluorophenyl)thio)acetamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide is 896305-98-9.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide is C15H13FN2OS2.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide is 320.05 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide 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)-2-((4-fluorophenyl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((4-fluorophenyl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.