(4-Methoxyphenyl)glycolonitrile
TL;DR: (4-Methoxyphenyl)glycolonitrile (CAS 33646-40-1) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(4-methoxyphenyl)acetonitrile
Also Known As: (4-Methoxyphenyl)glycolonitrile, 2-hydroxy-2-(4-methoxyphenyl)acetonitrile, 4-Methoxymandelonitrile, GLYCOLONITRILE, (p-Methoxyphenyl)glycolonitrile
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 33646-40-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)O |
| InChIKey | WLDAAMXETLHTER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Methoxyphenyl)glycolonitrile (CAS 33646-40-1), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-hydroxy-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of (4-Methoxyphenyl)glycolonitrile
Property Insights of (4-Methoxyphenyl)glycolonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl)glycolonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, (4-Methoxyphenyl)glycolonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl)glycolonitrile 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 (4-Methoxyphenyl)glycolonitrile?
The CAS number of (4-Methoxyphenyl)glycolonitrile is 33646-40-1.
What is the molecular formula of (4-Methoxyphenyl)glycolonitrile?
The molecular formula of (4-Methoxyphenyl)glycolonitrile is C9H9NO2.
What is the molecular weight of (4-Methoxyphenyl)glycolonitrile?
The molecular weight of (4-Methoxyphenyl)glycolonitrile is 163.06 g/mol.
Where can I buy (4-Methoxyphenyl)glycolonitrile?
You can request a quote for (4-Methoxyphenyl)glycolonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl)glycolonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl)glycolonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.