(S)-Mandelonitrile
TL;DR: (S)-Mandelonitrile (CAS 10020-96-9) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-hydroxy-2-phenylacetonitrile
Also Known As: (S)-Mandelonitrile, l-mandelonitrile, (-)-mandelonitrile, (S)-2-Hydroxy-2-phenylacetonitrile, Mandelonitrile
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 10020-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H](C#N)O |
| InChIKey | NNICRUQPODTGRU-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Mandelonitrile (CAS 10020-96-9), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: (2S)-2-hydroxy-2-phenylacetonitrile.
Chemical Property Profile of (S)-Mandelonitrile
Property Insights of (S)-Mandelonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Mandelonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, (S)-Mandelonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Mandelonitrile has 1 hydrogen bond donor(s) and 2 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)-Mandelonitrile?
The CAS number of (S)-Mandelonitrile is 10020-96-9.
What is the molecular formula of (S)-Mandelonitrile?
The molecular formula of (S)-Mandelonitrile is C8H7NO.
What is the molecular weight of (S)-Mandelonitrile?
The molecular weight of (S)-Mandelonitrile is 133.05 g/mol.
Where can I buy (S)-Mandelonitrile?
You can request a quote for (S)-Mandelonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Mandelonitrile?
Yes, KEHONG BIO provides custom synthesis services for (S)-Mandelonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.