3-Acetyl-5-chloro-2(3H)-benzoxazolone
TL;DR: 3-Acetyl-5-chloro-2(3H)-benzoxazolone (CAS 24963-29-9) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-chloro-1,3-benzoxazol-2-one
Also Known As: 3-Acetyl-5-chloro-2-benzoxazolinone, 2-BENZOXAZOLINONE, 3-ACETYL-5-CHLORO-, 3-Acetyl-5-chlorobenzoxazol-2 -one, 3-acetyl-5-chloro-1,3-benzoxazol-2-one, 2(3H)-benzoxazolone, 3-acetyl-5-chloro-
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 24963-29-9 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | LOYFUELOTCGIOH-UHFFFAOYSA-N |
Product Overview
3-Acetyl-5-chloro-2(3H)-benzoxazolone (CAS 24963-29-9), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-acetyl-5-chloro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-Acetyl-5-chloro-2(3H)-benzoxazolone
Property Insights of 3-Acetyl-5-chloro-2(3H)-benzoxazolone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-5-chloro-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Acetyl-5-chloro-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-5-chloro-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
Frequently Asked Questions
What is the CAS number of 3-Acetyl-5-chloro-2(3H)-benzoxazolone?
The CAS number of 3-Acetyl-5-chloro-2(3H)-benzoxazolone is 24963-29-9.
What is the molecular formula of 3-Acetyl-5-chloro-2(3H)-benzoxazolone?
The molecular formula of 3-Acetyl-5-chloro-2(3H)-benzoxazolone is C9H6ClNO3.
What is the molecular weight of 3-Acetyl-5-chloro-2(3H)-benzoxazolone?
The molecular weight of 3-Acetyl-5-chloro-2(3H)-benzoxazolone is 211.00 g/mol.
Where can I buy 3-Acetyl-5-chloro-2(3H)-benzoxazolone?
You can request a quote for 3-Acetyl-5-chloro-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 3-Acetyl-5-chloro-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-5-chloro-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.