3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one
TL;DR: 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one (CAS 98592-07-5) 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-6-bromo-1,3-benzoxazol-2-one
Also Known As: BAS 00139730, 3-Acetyl-6-bromo-3H-benzooxazol-2-one, 3-acetyl-6-bromo-1,3-benzoxazol-2-one, 3-acetyl-6-bromobenzo[d]oxazol-2(3H)-one, 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C9H6BrNO3 |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 2.0171 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.95311 |
| Heavy Atoms | 14 |
| Complexity | 566.931 |
Chemical Identifiers
| CAS Number | 98592-07-5 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)Br)OC1=O |
Product Overview
3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one (CAS 98592-07-5), with molecular formula C9H6BrNO3 and molecular weight 254.95 g/mol. IUPAC: 3-acetyl-6-bromo-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one
Property Insights of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.0171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 52.21 Ų, 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one 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-6-bromo-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one is 98592-07-5.
What is the molecular formula of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one is C9H6BrNO3.
What is the molecular weight of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one is 254.95 g/mol.
Where can I buy 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-6-bromo-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.