苯甲腈氧化物
TL;DR: 苯甲腈氧化物 (CAS 873-67-6) is a chemical compound with molecular formula C7H5NO and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲腈氧化物
benzonitrile oxide
Also Known As: Benzonitrile oxide, Benzonitrile, N-oxide, Phenylnitrile oxide, benzonitriloxid, phenylformonitrile oxide
| Molecular Formula | C7H5NO |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.03712 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 873-67-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#[N+][O-] |
| InChIKey | QUNPTMGXSSDZHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲腈氧化物 (CAS 873-67-6), with molecular formula C7H5NO and molecular weight 119.04 g/mol. IUPAC: benzonitrile oxide.
Chemical Property Profile of 苯甲腈氧化物
Property Insights of 苯甲腈氧化物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲腈氧化物. With a topological polar surface area (TPSA) of 30.7 Ų, 苯甲腈氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲腈氧化物 has 0 hydrogen bond donor(s) and 1 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 苯甲腈氧化物?
The CAS number of 苯甲腈氧化物 is 873-67-6.
What is the molecular formula of 苯甲腈氧化物?
The molecular formula of 苯甲腈氧化物 is C7H5NO.
What is the molecular weight of 苯甲腈氧化物?
The molecular weight of 苯甲腈氧化物 is 119.04 g/mol.
Where can I buy 苯甲腈氧化物?
You can request a quote for 苯甲腈氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲腈氧化物?
Yes, KEHONG BIO provides custom synthesis services for 苯甲腈氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.