2(3H)-Benzoxazolone, 3-acetyl-5-bromo-
TL;DR: 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- (CAS 73603-52-8) is a chemical compound with molecular formula C9H6BrNO3 and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-bromo-1,3-benzoxazol-2-one
Also Known As: 5-Bromo-3-acetylo-benzoksazolon-2, 3-Acetyl-5-bromo-2(3H)-benzoxazolone, 2(3H)-BENZOXAZOLONE, 3-ACETYL-5-BROMO-, 5-Bromo-3-acetylo-benzoksazolon-2 [Polish], 3-acetyl-5-bromo-1,3-benzoxazol-2-one
| Molecular Formula | C9H6BrNO3 |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.95311 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 73603-52-8 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=CC(=C2)Br)OC1=O |
| InChIKey | MZBKBHNQNMXLGP-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 3-acetyl-5-bromo- (CAS 73603-52-8), with molecular formula C9H6BrNO3 and molecular weight 254.95 g/mol. IUPAC: 3-acetyl-5-bromo-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-
Property Insights of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-. With a topological polar surface area (TPSA) of 46.6 Ų, 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- 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, 3-acetyl-5-bromo-?
The CAS number of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- is 73603-52-8.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-?
The molecular formula of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- is C9H6BrNO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-?
The molecular weight of 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- is 254.95 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-acetyl-5-bromo-?
You can request a quote for 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- 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, 3-acetyl-5-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-acetyl-5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.