2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile
TL;DR: 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile (CAS 87736-73-0) is a chemical compound with molecular formula C14H9NOS and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-thiophen-2-ylprop-2-enenitrile
Also Known As: 2-benzoyl-3-(2-thienyl)prop-2-enenitrile, 2-benzoyl-3-thiophen-2-ylprop-2-enenitrile, 2-(PHENYLCARBONYL)-3-(2-THIENYL)PROP-2-ENENITRILE
| Molecular Formula | C14H9NOS |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 3.53798 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.04048 |
| Heavy Atoms | 17 |
| Complexity | 576.4397 |
Chemical Identifiers
| CAS Number | 87736-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC=CS2)C#N |
Product Overview
2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile (CAS 87736-73-0), with molecular formula C14H9NOS and molecular weight 239.04 g/mol. IUPAC: 2-benzoyl-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile
Property Insights of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile
The XLogP value of 3.53798 indicates that 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile has 0 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 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile?
The CAS number of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile is 87736-73-0.
What is the molecular formula of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile?
The molecular formula of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile is C14H9NOS.
What is the molecular weight of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile?
The molecular weight of 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile is 239.04 g/mol.
Where can I buy 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile?
You can request a quote for 2-(Phenylcarbonyl)-3-(2-thienyl)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-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylcarbonyl)-3-(2-thienyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.