5-Bromoisophthalic acid
TL;DR: 5-Bromoisophthalic acid (CAS 23351-91-9) is a chemical compound with molecular formula C8H5BrO4 and molecular weight 243.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromobenzene-1,3-dicarboxylic acid
Also Known As: 5-Bromoisophthalic acid, 5-bromobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 5-bromo-, 5-Bromoisophthalicacid, 5-bromo-isophthalic acid
| Molecular Formula | C8H5BrO4 |
|---|---|
| Molecular Weight | 243.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.93712 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 23351-91-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)Br)C(=O)O |
| InChIKey | JATKASGNRMGFSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromoisophthalic acid (CAS 23351-91-9), with molecular formula C8H5BrO4 and molecular weight 243.94 g/mol. IUPAC: 5-bromobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-Bromoisophthalic acid
Property Insights of 5-Bromoisophthalic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromoisophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromoisophthalic acid. Following Lipinski's Rule of Five, 5-Bromoisophthalic 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 5-Bromoisophthalic acid?
The CAS number of 5-Bromoisophthalic acid is 23351-91-9.
What is the molecular formula of 5-Bromoisophthalic acid?
The molecular formula of 5-Bromoisophthalic acid is C8H5BrO4.
What is the molecular weight of 5-Bromoisophthalic acid?
The molecular weight of 5-Bromoisophthalic acid is 243.94 g/mol.
Where can I buy 5-Bromoisophthalic acid?
You can request a quote for 5-Bromoisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromoisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.