2-Chloro-4-hydroxybenzonitrile
TL;DR: 2-Chloro-4-hydroxybenzonitrile (CAS 3336-16-1) is a chemical compound with molecular formula C7H4ClNO and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-hydroxybenzonitrile
Also Known As: 2-Chloro-4-hydroxybenzonitrile, 3-Chloro-4-cyanophenol, 2-chloro-4-hydroxy-benzonitrile, HO(3-Cl,4-CN)Ph, Benzonitrile, 2-chloro-4-hydroxy-
| Molecular Formula | C7H4ClNO |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.99814 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3336-16-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)Cl)C#N |
| InChIKey | BDDVAWDNVWLHDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-hydroxybenzonitrile (CAS 3336-16-1), with molecular formula C7H4ClNO and molecular weight 153.00 g/mol. IUPAC: 2-chloro-4-hydroxybenzonitrile.
Chemical Property Profile of 2-Chloro-4-hydroxybenzonitrile
Property Insights of 2-Chloro-4-hydroxybenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Chloro-4-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-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 2-Chloro-4-hydroxybenzonitrile?
The CAS number of 2-Chloro-4-hydroxybenzonitrile is 3336-16-1.
What is the molecular formula of 2-Chloro-4-hydroxybenzonitrile?
The molecular formula of 2-Chloro-4-hydroxybenzonitrile is C7H4ClNO.
What is the molecular weight of 2-Chloro-4-hydroxybenzonitrile?
The molecular weight of 2-Chloro-4-hydroxybenzonitrile is 153.00 g/mol.
Where can I buy 2-Chloro-4-hydroxybenzonitrile?
You can request a quote for 2-Chloro-4-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.