2(3H)-Benzoxazolone, 6-acetyl-
TL;DR: 2(3H)-Benzoxazolone, 6-acetyl- (CAS 55364-85-7) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-3H-1,3-benzoxazol-2-one
Also Known As: 6-Acetyl-2(3H)-benzoxazolone, 6-Acetylbenzo[d]oxazol-2(3H)-one, 2(3H)-Benzoxazolone, 6-acetyl-, 6-ACETYL-2-BENZOXAZOLINONE, JPB 2
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 55364-85-7 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)NC(=O)O2 |
| InChIKey | QXBNAXVXLAHDTE-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-acetyl- (CAS 55364-85-7), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 6-acetyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-acetyl-
Property Insights of 2(3H)-Benzoxazolone, 6-acetyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-acetyl-. With a topological polar surface area (TPSA) of 55.4 Ų, 2(3H)-Benzoxazolone, 6-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-acetyl- 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 2(3H)-Benzoxazolone, 6-acetyl-?
The CAS number of 2(3H)-Benzoxazolone, 6-acetyl- is 55364-85-7.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-acetyl-?
The molecular formula of 2(3H)-Benzoxazolone, 6-acetyl- is C9H7NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-acetyl-?
The molecular weight of 2(3H)-Benzoxazolone, 6-acetyl- is 177.04 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-acetyl-?
You can request a quote for 2(3H)-Benzoxazolone, 6-acetyl- 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-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.