4,6-Dibromoisophthalic acid
TL;DR: 4,6-Dibromoisophthalic acid (CAS 24063-28-3) is a chemical compound with molecular formula C8H4Br2O4 and molecular weight 321.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dibromobenzene-1,3-dicarboxylic acid
Also Known As: 4,6-dibromoisophthalic acid, 4,6-dibromobenzene-1,3-dicarboxylic acid, H2BDC-2Br, 4,5-Dibromophthalic acid, 1,3-benzenedicarboxylic acid, 4,6-dibromo-
| Molecular Formula | C8H4Br2O4 |
|---|---|
| Molecular Weight | 321.85 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.84763 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 24063-28-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C(=O)O)Br)Br)C(=O)O |
| InChIKey | UDCSURCKPULYEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dibromoisophthalic acid (CAS 24063-28-3), with molecular formula C8H4Br2O4 and molecular weight 321.85 g/mol. IUPAC: 4,6-dibromobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4,6-Dibromoisophthalic acid
Property Insights of 4,6-Dibromoisophthalic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dibromoisophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dibromoisophthalic acid. Following Lipinski's Rule of Five, 4,6-Dibromoisophthalic 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 4,6-Dibromoisophthalic acid?
The CAS number of 4,6-Dibromoisophthalic acid is 24063-28-3.
What is the molecular formula of 4,6-Dibromoisophthalic acid?
The molecular formula of 4,6-Dibromoisophthalic acid is C8H4Br2O4.
What is the molecular weight of 4,6-Dibromoisophthalic acid?
The molecular weight of 4,6-Dibromoisophthalic acid is 321.85 g/mol.
Where can I buy 4,6-Dibromoisophthalic acid?
You can request a quote for 4,6-Dibromoisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dibromoisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dibromoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.