3-Phenyllactonitrile
TL;DR: 3-Phenyllactonitrile (CAS 50720-12-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-phenylpropanenitrile
Also Known As: 2-hydroxy-3-phenylpropanenitrile, 3-phenyllactonitrile, Phenylacetaldehyde cyanohydrin, phenylacetaldehyde-cyanohydrin, Benzenepropanenitrile,a-hydroxy
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 50720-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C#N)O |
| InChIKey | GOOUUOYVIYFDBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyllactonitrile (CAS 50720-12-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-hydroxy-3-phenylpropanenitrile.
Chemical Property Profile of 3-Phenyllactonitrile
Property Insights of 3-Phenyllactonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyllactonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Phenyllactonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyllactonitrile 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 3-Phenyllactonitrile?
The CAS number of 3-Phenyllactonitrile is 50720-12-2.
What is the molecular formula of 3-Phenyllactonitrile?
The molecular formula of 3-Phenyllactonitrile is C9H9NO.
What is the molecular weight of 3-Phenyllactonitrile?
The molecular weight of 3-Phenyllactonitrile is 147.07 g/mol.
Where can I buy 3-Phenyllactonitrile?
You can request a quote for 3-Phenyllactonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyllactonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyllactonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.