3-Benzoylanthranil
TL;DR: 3-Benzoylanthranil (CAS 837-63-8) 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.
2,1-benzoxazol-3-yl(phenyl)methanone
Also Known As: 3-benzoylanthranil, 3-Benzoyl-2,1-benzisoxazole, 2,1-benzoxazol-3-yl(phenyl)methanone, Ketone,1-benzisoxazol-3-yl phenyl, 3-BENZOYL-2,1-BENZOXAZOLE
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 837-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=NO2 |
| InChIKey | VUIXHVHTGHCQNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoylanthranil (CAS 837-63-8), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 2,1-benzoxazol-3-yl(phenyl)methanone.
Chemical Property Profile of 3-Benzoylanthranil
Property Insights of 3-Benzoylanthranil
The XLogP value of 3.4 indicates that 3-Benzoylanthranil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Benzoylanthranil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoylanthranil 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 3-Benzoylanthranil?
The CAS number of 3-Benzoylanthranil is 837-63-8.
What is the molecular formula of 3-Benzoylanthranil?
The molecular formula of 3-Benzoylanthranil is C14H9NO2.
What is the molecular weight of 3-Benzoylanthranil?
The molecular weight of 3-Benzoylanthranil is 223.06 g/mol.
Where can I buy 3-Benzoylanthranil?
You can request a quote for 3-Benzoylanthranil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoylanthranil?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoylanthranil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.