N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide (CAS 898136-21-5) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 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-phenylprop-2-ynamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide, N-(3-cyano-4,5-dimethyl(2-thienyl))-3-phenylprop-2-ynamide, N-(3-CYANO-4,5-DIMETHYL-2-THIENYL)-3-PHENYL-2-PROPYNAMIDE, N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-phenyl-prop-2-ynamide
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.22682 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 742.50964 |
Chemical Identifiers
| CAS Number | 898136-21-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C#CC2=CC=CC=C2)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide (CAS 898136-21-5), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide
The XLogP value of 3.22682 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide 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-phenylprop-2-ynamide 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-phenylprop-2-ynamide has 1 hydrogen bond donor(s) and 3 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-phenylprop-2-ynamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide is 898136-21-5.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide is C16H12N2OS.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide is 280.07 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide 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-phenylprop-2-ynamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-phenylprop-2-ynamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.