2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile
TL;DR: 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile (CAS 866154-51-0) is a chemical compound with molecular formula C12H8ClFN2S and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-fluoroanilino)-2-thiophen-2-ylacetonitrile
Also Known As: 2-(3-chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile, 2-[(3-chloro-4-fluorophenyl)amino]-2-(thiophen-2-yl)acetonitrile, 2-(3-chloro-4-fluoroanilino)-2-thiophen-2-ylacetonitrile, 2-(3-chloro-4-fluoro-anilino)-2-(2-thienyl)acetonitrile
| Molecular Formula | C12H8ClFN2S |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 4.21738 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0081 |
| Heavy Atoms | 17 |
| Complexity | 548.1284 |
Chemical Identifiers
| CAS Number | 866154-51-0 |
|---|---|
| SMILES | C1=CSC(=C1)C(C#N)NC2=CC(=C(C=C2)F)Cl |
Product Overview
2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile (CAS 866154-51-0), with molecular formula C12H8ClFN2S and molecular weight 266.01 g/mol. IUPAC: 2-(3-chloro-4-fluoroanilino)-2-thiophen-2-ylacetonitrile.
Chemical Property Profile of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile
Property Insights of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile
The XLogP value of 4.21738 indicates that 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile has 1 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-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile?
The CAS number of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile is 866154-51-0.
What is the molecular formula of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile?
The molecular formula of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile is C12H8ClFN2S.
What is the molecular weight of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile?
The molecular weight of 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile is 266.01 g/mol.
Where can I buy 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile?
You can request a quote for 2-(3-Chloro-4-fluoroanilino)-2-(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-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-fluoroanilino)-2-(2-thienyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.