Phenylglyoxylonitrile
TL;DR: Phenylglyoxylonitrile (CAS 613-90-1) is a chemical compound with molecular formula C8H5NO and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoyl cyanide
Also Known As: BENZOYL CYANIDE, Phenylglyoxylonitrile, Benzoyl nitrile, Benzoylcyanide, Oxo(phenyl)acetonitrile
| Molecular Formula | C8H5NO |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.03711 |
| Heavy Atoms | 10 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 613-90-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C#N |
| InChIKey | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylglyoxylonitrile (CAS 613-90-1), with molecular formula C8H5NO and molecular weight 131.04 g/mol. IUPAC: benzoyl cyanide.
Chemical Property Profile of Phenylglyoxylonitrile
Property Insights of Phenylglyoxylonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylglyoxylonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, Phenylglyoxylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylglyoxylonitrile has 0 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 Phenylglyoxylonitrile?
The CAS number of Phenylglyoxylonitrile is 613-90-1.
What is the molecular formula of Phenylglyoxylonitrile?
The molecular formula of Phenylglyoxylonitrile is C8H5NO.
What is the molecular weight of Phenylglyoxylonitrile?
The molecular weight of Phenylglyoxylonitrile is 131.04 g/mol.
Where can I buy Phenylglyoxylonitrile?
You can request a quote for Phenylglyoxylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylglyoxylonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenylglyoxylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.