N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide (CAS 314022-59-8) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 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-ethoxybenzamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide, BIM-0023029.P001, N-(3-cyano-4,5-dimethyl-2-thienyl)-2-ethoxybenzamide, N-(3-cyano-4,5-dimethyl(2-thienyl))(2-ethoxyphenyl)carboxamide
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 314022-59-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC2=C(C(=C(S2)C)C)C#N |
| InChIKey | PFOOMSBLIHANBY-UHFFFAOYSA-N |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide (CAS 314022-59-8), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
The XLogP value of 4.1 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide 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-ethoxybenzamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is 314022-59-8.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is C16H16N2O2S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is 300.09 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide 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-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.