![{5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile structure](/static/products/631/63186-39-0.png)
{5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile
TL;DR: {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile (CAS 63186-39-0) is a chemical compound with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]acetonitrile
Also Known As: {5-chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile, AE-641/00347043, 2-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]acetonitrile
| Molecular Formula | C15H12ClNOS |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 4.56588 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0328 |
| Heavy Atoms | 19 |
| Complexity | 604.5329 |
Chemical Identifiers
| CAS Number | 63186-39-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)CC#N |
Product Overview
{5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile (CAS 63186-39-0), with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol. IUPAC: 2-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]acetonitrile.
Chemical Property Profile of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile
Property Insights of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile
The XLogP value of 4.56588 indicates that {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}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 {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile?
The CAS number of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile is 63186-39-0.
What is the molecular formula of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile?
The molecular formula of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile is C15H12ClNOS.
What is the molecular weight of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile?
The molecular weight of {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile is 289.03 g/mol.
Where can I buy {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile?
You can request a quote for {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {5-Chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.