3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
TL;DR: 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide (CAS 896306-74-4) is a chemical compound with molecular formula C16H15ClN2OS2 and molecular weight 350.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
Also Known As: 3-[(4-chlorophenyl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide, F2590-0134, 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide, 3-(4-chlorophenyl)sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
| Molecular Formula | C16H15ClN2OS2 |
|---|---|
| Molecular Weight | 350.03 g/mol |
| LogP | 5.01092 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.03143 |
| Heavy Atoms | 22 |
| Complexity | 716.9824 |
Chemical Identifiers
| CAS Number | 896306-74-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=C(C=C2)Cl)C |
Product Overview
3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide (CAS 896306-74-4), with molecular formula C16H15ClN2OS2 and molecular weight 350.03 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide.
Chemical Property Profile of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
Property Insights of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
The XLogP value of 5.01092 indicates that 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)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, 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide?
The CAS number of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide is 896306-74-4.
What is the molecular formula of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide?
The molecular formula of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide is C16H15ClN2OS2.
What is the molecular weight of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide?
The molecular weight of 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide is 350.03 g/mol.
Where can I buy 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide?
You can request a quote for 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-chlorophenyl)thio)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.