2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile
TL;DR: 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile (CAS 6279-48-7) is a chemical compound with molecular formula C16H14ClNO and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(4-methoxyphenyl)propanenitrile
Also Known As: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)propanenitrile, Benzenepropanenitrile, a-(4-chlorophenyl)-4-methoxy-, 2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-propionitrile
| Molecular Formula | C16H14ClNO |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0764 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 6279-48-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | AILTUCAOQVQFQZ-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile (CAS 6279-48-7), with molecular formula C16H14ClNO and molecular weight 271.08 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)propanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile
Property Insights of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile
The XLogP value of 4.2 indicates that 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)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-(4-methoxyphenyl)propanenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile is 6279-48-7.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile is C16H14ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile is 271.08 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)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-(4-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.