(S)-4-Hydroxymandelonitrile
TL;DR: (S)-4-Hydroxymandelonitrile (CAS 13093-65-7) 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.
(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
Also Known As: (S)-4-Hydroxymandelonitrile, 4-Hydroxy-L-mandelonitrile, 4-Hydroxymandelonitrile, (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile, (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 13093-65-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H](C#N)O)O |
| InChIKey | HOOOPXDSCKBLFG-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-4-Hydroxymandelonitrile (CAS 13093-65-7), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile.
Chemical Property Profile of (S)-4-Hydroxymandelonitrile
Property Insights of (S)-4-Hydroxymandelonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-Hydroxymandelonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-Hydroxymandelonitrile. Following Lipinski's Rule of Five, (S)-4-Hydroxymandelonitrile has 2 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 (S)-4-Hydroxymandelonitrile?
The CAS number of (S)-4-Hydroxymandelonitrile is 13093-65-7.
What is the molecular formula of (S)-4-Hydroxymandelonitrile?
The molecular formula of (S)-4-Hydroxymandelonitrile is C8H7NO2.
What is the molecular weight of (S)-4-Hydroxymandelonitrile?
The molecular weight of (S)-4-Hydroxymandelonitrile is 149.05 g/mol.
Where can I buy (S)-4-Hydroxymandelonitrile?
You can request a quote for (S)-4-Hydroxymandelonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-Hydroxymandelonitrile?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-Hydroxymandelonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.