![2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile structure](/static/products/3390/339014-61-8.webp)
2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile
TL;DR: 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile (CAS 339014-61-8) is a chemical compound with molecular formula C13H7Cl2NOS and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetonitrile
Also Known As: Bionet2_000768, 2-[5-(2,4-dichlorobenzoyl)-2-thienyl]acetonitrile, 2-(5-(2,4-Dichlorobenzoyl)thiophen-2-yl)acetonitrile, dichlorobenzoylthienylacetonitrile, 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetonitrile
| Molecular Formula | C13H7Cl2NOS |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 4.35198 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.96255 |
| Heavy Atoms | 18 |
| Complexity | 642.6811 |
Chemical Identifiers
| CAS Number | 339014-61-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CC=C(S2)CC#N |
Product Overview
2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile (CAS 339014-61-8), with molecular formula C13H7Cl2NOS and molecular weight 294.96 g/mol. IUPAC: 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetonitrile.
Chemical Property Profile of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile
Property Insights of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile
The XLogP value of 4.35198 indicates that 2-[5-(2,4-Dichlorobenzoyl)-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-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(2,4-Dichlorobenzoyl)-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-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile?
The CAS number of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile is 339014-61-8.
What is the molecular formula of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile?
The molecular formula of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile is C13H7Cl2NOS.
What is the molecular weight of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile?
The molecular weight of 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile is 294.96 g/mol.
Where can I buy 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile?
You can request a quote for 2-[5-(2,4-Dichlorobenzoyl)-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-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(2,4-Dichlorobenzoyl)-2-thienyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.