2-(4-Cyanophenyl)-2-hydroxyacetic acid
TL;DR: 2-(4-Cyanophenyl)-2-hydroxyacetic acid (CAS 631897-16-0) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyanophenyl)-2-hydroxyacetic acid
Also Known As: 2-(4-cyanophenyl)-2-hydroxyacetic acid, 4-cyanomandelic acid, Mandelic acid, p-cyano-, 4-Cyano-a-hydroxybenzeneacetic acid, 4-Cyano-alpha-hydroxybenZeneacetic acid
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 631897-16-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(C(=O)O)O |
| InChIKey | WNSURQHMHJSIGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Cyanophenyl)-2-hydroxyacetic acid (CAS 631897-16-0), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 2-(4-cyanophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 2-(4-Cyanophenyl)-2-hydroxyacetic acid
Property Insights of 2-(4-Cyanophenyl)-2-hydroxyacetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Cyanophenyl)-2-hydroxyacetic acid. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Cyanophenyl)-2-hydroxyacetic acid. Following Lipinski's Rule of Five, 2-(4-Cyanophenyl)-2-hydroxyacetic acid has 2 hydrogen bond donor(s) and 4 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-(4-Cyanophenyl)-2-hydroxyacetic acid?
The CAS number of 2-(4-Cyanophenyl)-2-hydroxyacetic acid is 631897-16-0.
What is the molecular formula of 2-(4-Cyanophenyl)-2-hydroxyacetic acid?
The molecular formula of 2-(4-Cyanophenyl)-2-hydroxyacetic acid is C9H7NO3.
What is the molecular weight of 2-(4-Cyanophenyl)-2-hydroxyacetic acid?
The molecular weight of 2-(4-Cyanophenyl)-2-hydroxyacetic acid is 177.04 g/mol.
Where can I buy 2-(4-Cyanophenyl)-2-hydroxyacetic acid?
You can request a quote for 2-(4-Cyanophenyl)-2-hydroxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Cyanophenyl)-2-hydroxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Cyanophenyl)-2-hydroxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.