苯甲酰甲腈
TL;DR: 苯甲酰甲腈 (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.
苯甲酰甲腈
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
苯甲酰甲腈 (CAS 613-90-1), with molecular formula C8H5NO and molecular weight 131.04 g/mol. IUPAC: benzoyl cyanide.
Chemical Property Profile of 苯甲酰甲腈
Property Insights of 苯甲酰甲腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酰甲腈. With a topological polar surface area (TPSA) of 40.9 Ų, 苯甲酰甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酰甲腈 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 苯甲酰甲腈?
The CAS number of 苯甲酰甲腈 is 613-90-1.
What is the molecular formula of 苯甲酰甲腈?
The molecular formula of 苯甲酰甲腈 is C8H5NO.
What is the molecular weight of 苯甲酰甲腈?
The molecular weight of 苯甲酰甲腈 is 131.04 g/mol.
Where can I buy 苯甲酰甲腈?
You can request a quote for 苯甲酰甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰甲腈?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.