Bromoterephthalic acid
TL;DR: Bromoterephthalic acid (CAS 586-35-6) 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.
2-bromoterephthalic acid
Also Known As: 2-Bromoterephthalic acid, Bromoterephthalic acid, 2-bromobenzene-1,4-dicarboxylic acid, 2-Bromoterephthalicacid, 2-Bromo-terephthalic acid
| Molecular Formula | C8H5BrO4 |
|---|---|
| Molecular Weight | 243.94 g/mol |
| LogP | 2.6 |
| 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 | 228.0 |
Chemical Identifiers
| CAS Number | 586-35-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Br)C(=O)O |
| InChIKey | QPBGNSFASPVGTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoterephthalic acid (CAS 586-35-6), with molecular formula C8H5BrO4 and molecular weight 243.94 g/mol. IUPAC: 2-bromoterephthalic acid.
Chemical Property Profile of Bromoterephthalic acid
Property Insights of Bromoterephthalic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoterephthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoterephthalic acid. Following Lipinski's Rule of Five, Bromoterephthalic 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 Bromoterephthalic acid?
The CAS number of Bromoterephthalic acid is 586-35-6.
What is the molecular formula of Bromoterephthalic acid?
The molecular formula of Bromoterephthalic acid is C8H5BrO4.
What is the molecular weight of Bromoterephthalic acid?
The molecular weight of Bromoterephthalic acid is 243.94 g/mol.
Where can I buy Bromoterephthalic acid?
You can request a quote for Bromoterephthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoterephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for Bromoterephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.