2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile
TL;DR: 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile (CAS 72035-54-2) is a chemical compound with molecular formula C13H10ClNS and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-thiophen-2-ylpropanenitrile
Also Known As: 2-(4-chlorophenyl)-3-(2-thienyl)propanenitrile, 2-(4-chlorophenyl)-3-(2-thienyl)propionitrile, 2-(4-chlorophenyl)-3-thiophen-2-ylpropanenitrile, 2-(4-chlorophenyl)-3-thiophen-2-yl-propanenitrile
| Molecular Formula | C13H10ClNS |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 4.25138 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.02225 |
| Heavy Atoms | 16 |
| Complexity | 481.65118 |
Chemical Identifiers
| CAS Number | 72035-54-2 |
|---|---|
| SMILES | C1=CSC(=C1)CC(C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile (CAS 72035-54-2), with molecular formula C13H10ClNS and molecular weight 247.02 g/mol. IUPAC: 2-(4-chlorophenyl)-3-thiophen-2-ylpropanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile
Property Insights of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile
The XLogP value of 4.25138 indicates that 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile has 0 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile is 72035-54-2.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile is C13H10ClNS.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile is 247.02 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(2-thienyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.