4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile
TL;DR: 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile (CAS 749872-23-9) is a chemical compound with molecular formula C13H8ClNO2S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzonitrile
Also Known As: 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile, 4-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzonitrile, AB00723957-01
| Molecular Formula | C13H8ClNO2S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 3.53488 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.99643 |
| Heavy Atoms | 18 |
| Complexity | 598.199 |
Chemical Identifiers
| CAS Number | 749872-23-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCC(=O)C2=CC=C(S2)Cl |
Product Overview
4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile (CAS 749872-23-9), with molecular formula C13H8ClNO2S and molecular weight 277.00 g/mol. IUPAC: 4-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzonitrile.
Chemical Property Profile of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile
Property Insights of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile
The XLogP value of 3.53488 indicates that 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile has 0 hydrogen bond donor(s) and 4 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 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile?
The CAS number of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile is 749872-23-9.
What is the molecular formula of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile?
The molecular formula of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile is C13H8ClNO2S.
What is the molecular weight of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile?
The molecular weight of 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile is 277.00 g/mol.
Where can I buy 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile?
You can request a quote for 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(5-Chlorothiophen-2-yl)-2-oxoethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.