4-氯苯甲腈氧化物
TL;DR: 4-氯苯甲腈氧化物 (CAS 15500-74-0) is a chemical compound with molecular formula C7H4ClNO and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯甲腈氧化物
4-chlorobenzonitrile oxide
Also Known As: 4-chlorobenzonitrile oxide, Benzonitrile,4-chloro-N-oxide, 4-Chlorobenzonitrileoxide, p-chlorobenzonitrile oxide, 4-chlorobenzonitrile-N-oxide
| Molecular Formula | C7H4ClNO |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.99814 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 15500-74-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#[N+][O-])Cl |
| InChIKey | BZOYCUFNPVCWJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯甲腈氧化物 (CAS 15500-74-0), with molecular formula C7H4ClNO and molecular weight 153.00 g/mol. IUPAC: 4-chlorobenzonitrile oxide.
Chemical Property Profile of 4-氯苯甲腈氧化物
Property Insights of 4-氯苯甲腈氧化物
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯甲腈氧化物. With a topological polar surface area (TPSA) of 30.7 Ų, 4-氯苯甲腈氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯甲腈氧化物 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 4-氯苯甲腈氧化物?
The CAS number of 4-氯苯甲腈氧化物 is 15500-74-0.
What is the molecular formula of 4-氯苯甲腈氧化物?
The molecular formula of 4-氯苯甲腈氧化物 is C7H4ClNO.
What is the molecular weight of 4-氯苯甲腈氧化物?
The molecular weight of 4-氯苯甲腈氧化物 is 153.00 g/mol.
Where can I buy 4-氯苯甲腈氧化物?
You can request a quote for 4-氯苯甲腈氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯甲腈氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯甲腈氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.