3-Hydroxy-4-methoxybenzonitrile
TL;DR: 3-Hydroxy-4-methoxybenzonitrile (CAS 52805-46-6) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methoxybenzonitrile
Also Known As: 3-hydroxy-4-methoxybenzonitrile, p-Cyanguajacol, Gefitinib Impurity, ISOVANILLONITRILE, Gefitinib Impurity 22
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.27248 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 52805-46-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#N)O |
Product Overview
3-Hydroxy-4-methoxybenzonitrile (CAS 52805-46-6), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 3-hydroxy-4-methoxybenzonitrile.
Chemical Property Profile of 3-Hydroxy-4-methoxybenzonitrile
Property Insights of 3-Hydroxy-4-methoxybenzonitrile
The XLogP value of 1.27248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methoxybenzonitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Hydroxy-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-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-Hydroxy-4-methoxybenzonitrile?
The CAS number of 3-Hydroxy-4-methoxybenzonitrile is 52805-46-6.
What is the molecular formula of 3-Hydroxy-4-methoxybenzonitrile?
The molecular formula of 3-Hydroxy-4-methoxybenzonitrile is C8H7NO2.
What is the molecular weight of 3-Hydroxy-4-methoxybenzonitrile?
The molecular weight of 3-Hydroxy-4-methoxybenzonitrile is 149.05 g/mol.
Where can I buy 3-Hydroxy-4-methoxybenzonitrile?
You can request a quote for 3-Hydroxy-4-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.