![2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile structure](/static/products/3384/338422-77-8.webp)
2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile
TL;DR: 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile (CAS 338422-77-8) is a chemical compound with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetonitrile
Also Known As: 2-[5-(4-chlorobenzoyl)-2-thienyl]acetonitrile, 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetonitrile, 2-(5-(4-Chlorobenzoyl)thiophen-2-yl)acetonitrile, chlorobenzoylthienylacetonitrile, 5-(4-Chlorobenzoyl)-2-thiopheneacetonitrile
| Molecular Formula | C13H8ClNOS |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 3.69858 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.00153 |
| Heavy Atoms | 17 |
| Complexity | 580.2121 |
Chemical Identifiers
| CAS Number | 338422-77-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC#N)Cl |
Product Overview
2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile (CAS 338422-77-8), with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol. IUPAC: 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetonitrile.
Chemical Property Profile of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile
Property Insights of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile
The XLogP value of 3.69858 indicates that 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile 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-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile 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-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile?
The CAS number of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile is 338422-77-8.
What is the molecular formula of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile?
The molecular formula of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile is C13H8ClNOS.
What is the molecular weight of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile?
The molecular weight of 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile is 261.00 g/mol.
Where can I buy 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile?
You can request a quote for 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Chlorobenzoyl)-2-thienyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.