3-(4-Chlorophenyl)-3-hydroxypropanenitrile
TL;DR: 3-(4-Chlorophenyl)-3-hydroxypropanenitrile (CAS 84466-38-6) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-3-hydroxypropanenitrile
Also Known As: 3-(4-chlorophenyl)-3-hydroxypropanenitrile, 4-Chloro-beta-hydroxybenzenepropanenitrile, beta-Hydroxy-4-chlorobenzenepropanenitrile, 3-hydroxy-3-(p-chlorophenyl)propionitrile, 3-(4-chlorophenyl)-3-hydroxy-propanenitrile
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.28708 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 288.392 |
Chemical Identifiers
| CAS Number | 84466-38-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC#N)O)Cl |
Product Overview
3-(4-Chlorophenyl)-3-hydroxypropanenitrile (CAS 84466-38-6), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 3-(4-chlorophenyl)-3-hydroxypropanenitrile.
Chemical Property Profile of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile
Property Insights of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile
The XLogP value of 2.28708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-3-hydroxypropanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3-(4-Chlorophenyl)-3-hydroxypropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-3-hydroxypropanenitrile has 1 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 3-(4-Chlorophenyl)-3-hydroxypropanenitrile?
The CAS number of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile is 84466-38-6.
What is the molecular formula of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile?
The molecular formula of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile is C9H8ClNO.
What is the molecular weight of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile?
The molecular weight of 3-(4-Chlorophenyl)-3-hydroxypropanenitrile is 181.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-3-hydroxypropanenitrile?
You can request a quote for 3-(4-Chlorophenyl)-3-hydroxypropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-3-hydroxypropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-3-hydroxypropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.