2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
TL;DR: 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- (CAS 54903-63-8) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzoyl-3-methyl-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-, 6-Benzoyl-3-methyl-2(3H)-benzoxazolone, 6-benzoyl-3-methylbenzoxazolinone, 3-Methyl-6-benzoylbenzoxazol-2(3H)-one, 6-benzoyl-3-methylbenzo[d]oxazol-2(3H)-one
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 54903-63-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1=O |
| InChIKey | NOEMWSDYOPTWHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- (CAS 54903-63-8), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 6-benzoyl-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
Property Insights of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-. With a topological polar surface area (TPSA) of 46.6 Ų, 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- 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 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-?
The CAS number of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- is 54903-63-8.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-?
The molecular formula of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- is C15H11NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-?
The molecular weight of 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- is 253.07 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-?
You can request a quote for 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.