3-Chloro-4-hydroxy-5-methoxybenzonitrile
TL;DR: 3-Chloro-4-hydroxy-5-methoxybenzonitrile (CAS 5485-88-1) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-hydroxy-5-methoxybenzonitrile
Also Known As: 3-chloro-4-hydroxy-5-methoxybenzonitrile, 3-Chloro-4-hydroxy-5-methoxy-Benzonitrile, 5-chloro-4-hydroxy-3-methoxybenzonitrile, 1-(3-amino-2-chloropyridin-4-yl)ethanone, 3-chloro-4-hydroxy-5-methoxybenzenecarbonitrile
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 1.92588 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.00871 |
| Heavy Atoms | 12 |
| Complexity | 343.64648 |
Chemical Identifiers
| CAS Number | 5485-88-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)Cl)O |
Product Overview
3-Chloro-4-hydroxy-5-methoxybenzonitrile (CAS 5485-88-1), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 3-chloro-4-hydroxy-5-methoxybenzonitrile.
Chemical Property Profile of 3-Chloro-4-hydroxy-5-methoxybenzonitrile
Property Insights of 3-Chloro-4-hydroxy-5-methoxybenzonitrile
The XLogP value of 1.92588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-hydroxy-5-methoxybenzonitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Chloro-4-hydroxy-5-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-hydroxy-5-methoxybenzonitrile has 1 hydrogen bond donor(s) and 3 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-4-hydroxy-5-methoxybenzonitrile?
The CAS number of 3-Chloro-4-hydroxy-5-methoxybenzonitrile is 5485-88-1.
What is the molecular formula of 3-Chloro-4-hydroxy-5-methoxybenzonitrile?
The molecular formula of 3-Chloro-4-hydroxy-5-methoxybenzonitrile is C8H6ClNO2.
What is the molecular weight of 3-Chloro-4-hydroxy-5-methoxybenzonitrile?
The molecular weight of 3-Chloro-4-hydroxy-5-methoxybenzonitrile is 183.01 g/mol.
Where can I buy 3-Chloro-4-hydroxy-5-methoxybenzonitrile?
You can request a quote for 3-Chloro-4-hydroxy-5-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-hydroxy-5-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-hydroxy-5-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.