Acetanthranil
TL;DR: Acetanthranil (CAS 525-76-8) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,1-benzoxazin-4-one
Also Known As: Acetanthranil, 2-Methyl-4H-3,1-benzoxazin-4-one, 2-Methyl-4H-benzo[d][1,3]oxazin-4-one, acetylanthranil, 2-Methyl-3,1-benzoxaza-4-one
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 525-76-8 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)O1 |
| InChIKey | WMQSKECCMQRJRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetanthranil (CAS 525-76-8), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-methyl-3,1-benzoxazin-4-one.
Chemical Property Profile of Acetanthranil
Property Insights of Acetanthranil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanthranil. With a topological polar surface area (TPSA) of 38.7 Ų, Acetanthranil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanthranil 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 Acetanthranil?
The CAS number of Acetanthranil is 525-76-8.
What is the molecular formula of Acetanthranil?
The molecular formula of Acetanthranil is C9H7NO2.
What is the molecular weight of Acetanthranil?
The molecular weight of Acetanthranil is 161.05 g/mol.
Where can I buy Acetanthranil?
You can request a quote for Acetanthranil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanthranil?
Yes, KEHONG BIO provides custom synthesis services for Acetanthranil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.