1,2-Benzisoxazol-3(2H)-one, 5-bromo-
TL;DR: 1,2-Benzisoxazol-3(2H)-one, 5-bromo- (CAS 65685-50-9) is a chemical compound with molecular formula C7H4BrNO2 and molecular weight 212.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2-benzoxazol-3-one
Also Known As: 5-Bromobenzo[d]isoxazol-3(2H)-one, 5-bromo-1,2-benzoxazol-3-one, 5-BROMOBENZO[D]ISOXAZOL-3-ONE, 5-bromobenzo[d]isoxazol-3-ol, 5-bromo-1,2-benzoxazol-3-ol
| Molecular Formula | C7H4BrNO2 |
|---|---|
| Molecular Weight | 212.94 g/mol |
| LogP | 1.8836 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.94254 |
| Heavy Atoms | 11 |
| Complexity | 442.88245 |
Chemical Identifiers
| CAS Number | 65685-50-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)NO2 |
Product Overview
1,2-Benzisoxazol-3(2H)-one, 5-bromo- (CAS 65685-50-9), with molecular formula C7H4BrNO2 and molecular weight 212.94 g/mol. IUPAC: 5-bromo-1,2-benzoxazol-3-one.
Chemical Property Profile of 1,2-Benzisoxazol-3(2H)-one, 5-bromo-
Property Insights of 1,2-Benzisoxazol-3(2H)-one, 5-bromo-
The XLogP value of 1.8836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazol-3(2H)-one, 5-bromo-. With a topological polar surface area (TPSA) of 46.0 Ų, 1,2-Benzisoxazol-3(2H)-one, 5-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazol-3(2H)-one, 5-bromo- has 1 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 1,2-Benzisoxazol-3(2H)-one, 5-bromo-?
The CAS number of 1,2-Benzisoxazol-3(2H)-one, 5-bromo- is 65685-50-9.
What is the molecular formula of 1,2-Benzisoxazol-3(2H)-one, 5-bromo-?
The molecular formula of 1,2-Benzisoxazol-3(2H)-one, 5-bromo- is C7H4BrNO2.
What is the molecular weight of 1,2-Benzisoxazol-3(2H)-one, 5-bromo-?
The molecular weight of 1,2-Benzisoxazol-3(2H)-one, 5-bromo- is 212.94 g/mol.
Where can I buy 1,2-Benzisoxazol-3(2H)-one, 5-bromo-?
You can request a quote for 1,2-Benzisoxazol-3(2H)-one, 5-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazol-3(2H)-one, 5-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazol-3(2H)-one, 5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.