N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide (CAS 896305-47-8) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 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-phenylsulfanylpropanamide
Also Known As: F2590-0103, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylsulfanyl)propanamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylsulfanylpropanamide
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.35752 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 671.5757 |
Chemical Identifiers
| CAS Number | 896305-47-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=CC=C2)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide (CAS 896305-47-8), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylsulfanylpropanamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide
The XLogP value of 4.35752 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)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-(phenylthio)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-(phenylthio)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-(phenylthio)propanamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide is 896305-47-8.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide is C16H16N2OS2.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide is 316.07 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)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-(phenylthio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(phenylthio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.