5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole
TL;DR: 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole (CAS 728-21-2) is a chemical compound with molecular formula C14H10BrNO2 and molecular weight 302.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole
Also Known As: 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole, Maybridge3_006301, 5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole, 4-(5-Bromo-2,1-benzisoxazol-3-yl)phenyl methyl ether, 5-bromo-3-(4-methoxyphenyl)anthranil
| Molecular Formula | C14H10BrNO2 |
|---|---|
| Molecular Weight | 302.99 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.9895 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 728-21-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Br |
| InChIKey | LIEUUAXXKPVLMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole (CAS 728-21-2), with molecular formula C14H10BrNO2 and molecular weight 302.99 g/mol. IUPAC: 5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole.
Chemical Property Profile of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole
Property Insights of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole
The XLogP value of 4.0 indicates that 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole 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 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole?
The CAS number of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole is 728-21-2.
What is the molecular formula of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole?
The molecular formula of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole is C14H10BrNO2.
What is the molecular weight of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole?
The molecular weight of 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole is 302.99 g/mol.
Where can I buy 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole?
You can request a quote for 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-(4-methoxyphenyl)-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.