3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile
TL;DR: 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile (CAS 685120-60-9) 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.
3-[5-(4-chlorophenyl)thiophen-2-yl]-3-oxopropanenitrile
Also Known As: 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile, 3-[5-(4-chlorophenyl)thiophen-2-yl]-3-oxopropanenitrile, 2-Thiophenepropanenitrile, 5-(4-chlorophenyl)-? masculineS?-oxo-
| Molecular Formula | C13H8ClNOS |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 4.16488 |
| 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 | 685120-60-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(S2)C(=O)CC#N)Cl |
Product Overview
3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile (CAS 685120-60-9), with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol. IUPAC: 3-[5-(4-chlorophenyl)thiophen-2-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile
Property Insights of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile
The XLogP value of 4.16488 indicates that 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile 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 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile?
The CAS number of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile is 685120-60-9.
What is the molecular formula of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile?
The molecular formula of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile is C13H8ClNOS.
What is the molecular weight of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile?
The molecular weight of 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile is 261.00 g/mol.
Where can I buy 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile?
You can request a quote for 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.