6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one
TL;DR: 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 67927-44-0) is a chemical compound with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-methyl-1,3-benzoxazol-2-one
Also Known As: 6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one, 6-bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one, 6-bromo-3-methyl-1,3-benzoxazol-2-one, 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one, bromomethyldihydrobenzoxazolone
| Molecular Formula | C8H6BrNO2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.95819 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 67927-44-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)OC1=O |
| InChIKey | OASANCDKMGODJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 67927-44-0), with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol. IUPAC: 6-bromo-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one
Property Insights of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 2 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 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one is 67927-44-0.
What is the molecular formula of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one is C8H6BrNO2.
What is the molecular weight of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one is 226.96 g/mol.
Where can I buy 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-Bromo-3-methyl-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 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.