2-Chloro-3-(4-methoxyphenyl)propanenitrile
TL;DR: 2-Chloro-3-(4-methoxyphenyl)propanenitrile (CAS 17849-23-9) is a chemical compound with molecular formula C10H10ClNO and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-methoxyphenyl)propanenitrile
Also Known As: alpha-Chloro-p-methoxyhydrocinnamonitrile, 2-chloro-3-(4-methoxyphenyl)propanenitrile, Hydrocinnamonitrile, alpha-chloro-p-methoxy-, alpha-Chloro-4-methoxybenzenepropanenitrile, 2-Chloro-3-(4-methoxyphenyl)propiononitrile
| Molecular Formula | C10H10ClNO |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.04509 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 17849-23-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C#N)Cl |
| InChIKey | SUUIRDVZKPEGOD-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(4-methoxyphenyl)propanenitrile (CAS 17849-23-9), with molecular formula C10H10ClNO and molecular weight 195.05 g/mol. IUPAC: 2-chloro-3-(4-methoxyphenyl)propanenitrile.
Chemical Property Profile of 2-Chloro-3-(4-methoxyphenyl)propanenitrile
Property Insights of 2-Chloro-3-(4-methoxyphenyl)propanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(4-methoxyphenyl)propanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Chloro-3-(4-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-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-Chloro-3-(4-methoxyphenyl)propanenitrile?
The CAS number of 2-Chloro-3-(4-methoxyphenyl)propanenitrile is 17849-23-9.
What is the molecular formula of 2-Chloro-3-(4-methoxyphenyl)propanenitrile?
The molecular formula of 2-Chloro-3-(4-methoxyphenyl)propanenitrile is C10H10ClNO.
What is the molecular weight of 2-Chloro-3-(4-methoxyphenyl)propanenitrile?
The molecular weight of 2-Chloro-3-(4-methoxyphenyl)propanenitrile is 195.05 g/mol.
Where can I buy 2-Chloro-3-(4-methoxyphenyl)propanenitrile?
You can request a quote for 2-Chloro-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-Chloro-3-(4-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.