3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
TL;DR: 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid (CAS 13990-07-3) is a chemical compound with molecular formula C9H6Br2O4 and molecular weight 335.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
Also Known As: 3,5-dibromo-4-hydroxyphenylpyruvic acid, 3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid, 3,5-Dibromo-4-hydroxyphenylpyruvate, (3,5-dibromo-4-hydroxy-phenyl)-pyruvic acid, J2.749.620B
| Molecular Formula | C9H6Br2O4 |
|---|---|
| Molecular Weight | 335.86 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.86328 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 13990-07-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)CC(=O)C(=O)O |
| InChIKey | NJXFZTOQSMPMRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid (CAS 13990-07-3), with molecular formula C9H6Br2O4 and molecular weight 335.86 g/mol. IUPAC: 3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
Property Insights of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid has 2 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-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid?
The CAS number of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid is 13990-07-3.
What is the molecular formula of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid?
The molecular formula of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid is C9H6Br2O4.
What is the molecular weight of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid?
The molecular weight of 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid is 335.86 g/mol.
Where can I buy 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid?
You can request a quote for 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.