5-Amino-4-bromo-3-phenylisoxazole
TL;DR: 5-Amino-4-bromo-3-phenylisoxazole (CAS 28884-13-1) is a chemical compound with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-phenyl-1,2-oxazol-5-amine
Also Known As: 5-Amino-4-bromo-3-phenylisoxazole, 4-bromo-3-phenyl-1,2-oxazol-5-amine, 4-Bromo-3-phenyl-5-isoxazolamine, 4-bromo-3-phenylisoxazol-5-amine, Isoxazole, 5-amino-4-bromo-3-phenyl-
| Molecular Formula | C9H7BrN2O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.97418 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 28884-13-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2Br)N |
| InChIKey | CTALDFCDLHWHDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4-bromo-3-phenylisoxazole (CAS 28884-13-1), with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol. IUPAC: 4-bromo-3-phenyl-1,2-oxazol-5-amine.
Chemical Property Profile of 5-Amino-4-bromo-3-phenylisoxazole
Property Insights of 5-Amino-4-bromo-3-phenylisoxazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-bromo-3-phenylisoxazole. With a topological polar surface area (TPSA) of 52.1 Ų, 5-Amino-4-bromo-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-4-bromo-3-phenylisoxazole has 1 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-Amino-4-bromo-3-phenylisoxazole?
The CAS number of 5-Amino-4-bromo-3-phenylisoxazole is 28884-13-1.
What is the molecular formula of 5-Amino-4-bromo-3-phenylisoxazole?
The molecular formula of 5-Amino-4-bromo-3-phenylisoxazole is C9H7BrN2O.
What is the molecular weight of 5-Amino-4-bromo-3-phenylisoxazole?
The molecular weight of 5-Amino-4-bromo-3-phenylisoxazole is 237.97 g/mol.
Where can I buy 5-Amino-4-bromo-3-phenylisoxazole?
You can request a quote for 5-Amino-4-bromo-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-bromo-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-bromo-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.