3-Bromoisoxazole-5-carboxylic acid
TL;DR: 3-Bromoisoxazole-5-carboxylic acid (CAS 6567-35-7) is a chemical compound with molecular formula C4H2BrNO3 and molecular weight 190.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,2-oxazole-5-carboxylic acid
Also Known As: 3-bromoisoxazole-5-carboxylic acid, null, 3-bromo-1,2-oxazole-5-carboxylic acid, 3-Bromo-5-carboxyisoxazole, 3-Bromoisoxazole-5-CarboxylicAcid
| Molecular Formula | C4H2BrNO3 |
|---|---|
| Molecular Weight | 190.92 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.92181 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 6567-35-7 |
|---|---|
| SMILES | C1=C(ON=C1Br)C(=O)O |
| InChIKey | YNIMFLBFJCGBQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromoisoxazole-5-carboxylic acid (CAS 6567-35-7), with molecular formula C4H2BrNO3 and molecular weight 190.92 g/mol. IUPAC: 3-bromo-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-Bromoisoxazole-5-carboxylic acid
Property Insights of 3-Bromoisoxazole-5-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromoisoxazole-5-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromoisoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-Bromoisoxazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-Bromoisoxazole-5-carboxylic acid?
The CAS number of 3-Bromoisoxazole-5-carboxylic acid is 6567-35-7.
What is the molecular formula of 3-Bromoisoxazole-5-carboxylic acid?
The molecular formula of 3-Bromoisoxazole-5-carboxylic acid is C4H2BrNO3.
What is the molecular weight of 3-Bromoisoxazole-5-carboxylic acid?
The molecular weight of 3-Bromoisoxazole-5-carboxylic acid is 190.92 g/mol.
Where can I buy 3-Bromoisoxazole-5-carboxylic acid?
You can request a quote for 3-Bromoisoxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoisoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoisoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.