6-Benzoyl-2(3H)-benzoxazolone
TL;DR: 6-Benzoyl-2(3H)-benzoxazolone (CAS 54903-12-7) is a chemical compound with molecular formula C14H9NO3 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzoyl-3H-1,3-benzoxazol-2-one
Also Known As: 6-Benzoylbenzoxazol-2(3H)-one, 6-Benzoyl benzoxazolinone, 6-Benzoyl-2(3H)-benzoxazolone, 6-benzoylbenzoxazolidinone, 2(3H)-Benzoxazolone, 6-benzoyl-
| Molecular Formula | C14H9NO3 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05824 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 54903-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)O3 |
| InChIKey | FNIQWNQNMXTVJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzoyl-2(3H)-benzoxazolone (CAS 54903-12-7), with molecular formula C14H9NO3 and molecular weight 239.06 g/mol. IUPAC: 6-benzoyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Benzoyl-2(3H)-benzoxazolone
Property Insights of 6-Benzoyl-2(3H)-benzoxazolone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzoyl-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 55.4 Ų, 6-Benzoyl-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzoyl-2(3H)-benzoxazolone has 1 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 6-Benzoyl-2(3H)-benzoxazolone?
The CAS number of 6-Benzoyl-2(3H)-benzoxazolone is 54903-12-7.
What is the molecular formula of 6-Benzoyl-2(3H)-benzoxazolone?
The molecular formula of 6-Benzoyl-2(3H)-benzoxazolone is C14H9NO3.
What is the molecular weight of 6-Benzoyl-2(3H)-benzoxazolone?
The molecular weight of 6-Benzoyl-2(3H)-benzoxazolone is 239.06 g/mol.
Where can I buy 6-Benzoyl-2(3H)-benzoxazolone?
You can request a quote for 6-Benzoyl-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzoyl-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzoyl-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.