3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile
TL;DR: 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile (CAS 401615-96-1) is a chemical compound with molecular formula C13H14ClNO and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-cyclohexyl-2-hydroxybenzonitrile
Also Known As: 3-chloro-5-cyclohexyl-2-hydroxybenzonitrile, SALOR-INT L498467-1EA, LABOTEST-BB LT00239244, 3-chloro-5-cyclohexyl-2-hydroxybenzenecarbonitrile, 635-441-3
| Molecular Formula | C13H14ClNO |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 3.96498 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.07639 |
| Heavy Atoms | 16 |
| Complexity | 430.29413 |
Chemical Identifiers
| CAS Number | 401615-96-1 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC(=C(C(=C2)Cl)O)C#N |
Product Overview
3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile (CAS 401615-96-1), with molecular formula C13H14ClNO and molecular weight 235.08 g/mol. IUPAC: 3-chloro-5-cyclohexyl-2-hydroxybenzonitrile.
Chemical Property Profile of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile
Property Insights of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile
The XLogP value of 3.96498 indicates that 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.02 Ų, 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile 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-Chloro-5-cyclohexyl-2-hydroxybenzonitrile?
The CAS number of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile is 401615-96-1.
What is the molecular formula of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile?
The molecular formula of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile is C13H14ClNO.
What is the molecular weight of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile?
The molecular weight of 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile is 235.08 g/mol.
Where can I buy 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile?
You can request a quote for 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.