3-Acetyl-2(3H)-benzoxazolone
TL;DR: 3-Acetyl-2(3H)-benzoxazolone (CAS 24963-28-8) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-1,3-benzoxazol-2-one
Also Known As: 3-Acetyl-2-benzoxazolinone, 3-Acetylbenzo[d]oxazol-2(3H)-one, N-Acetylbenzoxazolone, 3-acetyl-1,3-benzoxazol-2-one, 3-acetylbenzoxazolinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.04259 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04259 Da |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
| SMILES | CC(=O)N1C2=CC=CC=C2OC1=O |
| InChIKey | KIIQPJPWSJBTGN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetyl-2(3H)-benzoxazolone
Property Insights of 3-Acetyl-2(3H)-benzoxazolone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Acetyl-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2(3H)-benzoxazolone 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
What is the CAS number of 3-Acetyl-2(3H)-benzoxazolone?
The CAS number of 3-Acetyl-2(3H)-benzoxazolone is 24963-28-8.
What is the molecular formula of 3-Acetyl-2(3H)-benzoxazolone?
The molecular formula of 3-Acetyl-2(3H)-benzoxazolone is C9H7NO3.
What is the molecular weight of 3-Acetyl-2(3H)-benzoxazolone?
The molecular weight of 3-Acetyl-2(3H)-benzoxazolone is 177.04259 g/mol.
Where can I buy 3-Acetyl-2(3H)-benzoxazolone?
You can request a quote for 3-Acetyl-2(3H)-benzoxazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetyl-2(3H)-benzoxazolone?
Yes, CoreyChem provides custom synthesis services for 3-Acetyl-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.