4-Acetyl-2(3H)-benzoxazolone
TL;DR: 4-Acetyl-2(3H)-benzoxazolone (CAS 70735-79-4) 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.
4-acetyl-3H-1,3-benzoxazol-2-one
Also Known As: 4-acetylbenzo[d]oxazol-2(3H)-one, 4-ACETYL-2-BENZOXAZOLINONE, 4-acetyl-2(3H)-Benzoxazolone, 4-acetyl-3H-1,3-benzoxazol-2-one, ABOA
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.3237 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 520.88446 |
Chemical Identifiers
| CAS Number | 70735-79-4 |
|---|---|
| SMILES | CC(=O)C1=C2C(=CC=C1)OC(=O)N2 |
Product Overview
4-Acetyl-2(3H)-benzoxazolone (CAS 70735-79-4), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 4-acetyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 4-Acetyl-2(3H)-benzoxazolone
Property Insights of 4-Acetyl-2(3H)-benzoxazolone
The XLogP value of 1.3237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-2(3H)-benzoxazolone. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-2(3H)-benzoxazolone. Following Lipinski's Rule of Five, 4-Acetyl-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 4-Acetyl-2(3H)-benzoxazolone?
The CAS number of 4-Acetyl-2(3H)-benzoxazolone is 70735-79-4.
What is the molecular formula of 4-Acetyl-2(3H)-benzoxazolone?
The molecular formula of 4-Acetyl-2(3H)-benzoxazolone is C9H7NO3.
What is the molecular weight of 4-Acetyl-2(3H)-benzoxazolone?
The molecular weight of 4-Acetyl-2(3H)-benzoxazolone is 177.04 g/mol.
Where can I buy 4-Acetyl-2(3H)-benzoxazolone?
You can request a quote for 4-Acetyl-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 4-Acetyl-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.