苯草灭
TL;DR: 苯草灭 (CAS 1022-46-4) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯草灭
2-phenyl-3,1-benzoxazin-4-one
Also Known As: Bentranil, Linarotox, Linurotox, 2-Phenyl-4H-3,1-benzoxazin-4-one, benzazin
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1022-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 |
| InChIKey | HTTLBYITFHMYFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯草灭 (CAS 1022-46-4), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 2-phenyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 苯草灭
Property Insights of 苯草灭
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯草灭. With a topological polar surface area (TPSA) of 38.7 Ų, 苯草灭 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯草灭 has 0 hydrogen bond donor(s) and 3 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 苯草灭?
The CAS number of 苯草灭 is 1022-46-4.
What is the molecular formula of 苯草灭?
The molecular formula of 苯草灭 is C14H9NO2.
What is the molecular weight of 苯草灭?
The molecular weight of 苯草灭 is 223.06 g/mol.
Where can I buy 苯草灭?
You can request a quote for 苯草灭 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯草灭?
Yes, KEHONG BIO provides custom synthesis services for 苯草灭 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.