2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
TL;DR: 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile (CAS 1164544-45-9) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-(5-acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile, 2-(5-acetyl-2-thienyl)-3-(3-methoxyphenyl)acrylonitrile
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 4.02348 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 707.2621 |
Chemical Identifiers
| CAS Number | 1164544-45-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C(=CC2=CC(=CC=C2)OC)C#N |
Product Overview
2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile (CAS 1164544-45-9), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 2-(5-acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
Property Insights of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
The XLogP value of 4.02348 indicates that 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile has 0 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 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile is 1164544-45-9.
What is the molecular formula of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile is C16H13NO2S.
What is the molecular weight of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile is 283.07 g/mol.
Where can I buy 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Acetylthiophen-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.