2-Hydroxy-1,3-benzenedicarboxylic acid
TL;DR: 2-Hydroxy-1,3-benzenedicarboxylic acid (CAS 606-19-9) is a chemical compound with molecular formula C8H6O5 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxybenzene-1,3-dicarboxylic acid
Also Known As: 2-Hydroxyisophthalic acid, 2-hydroxybenzene-1,3-dicarboxylic acid, 2-Hydroxyisophthalicacid, Aspirin Impurity 21, 2-Hydrocyisophthalic acid
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.02153 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 606-19-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)O)C(=O)O |
| InChIKey | WVDGHGISNBRCAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-1,3-benzenedicarboxylic acid (CAS 606-19-9), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 2-hydroxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2-Hydroxy-1,3-benzenedicarboxylic acid
Property Insights of 2-Hydroxy-1,3-benzenedicarboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-1,3-benzenedicarboxylic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-1,3-benzenedicarboxylic acid. Following Lipinski's Rule of Five, 2-Hydroxy-1,3-benzenedicarboxylic acid has 3 hydrogen bond donor(s) and 5 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 2-Hydroxy-1,3-benzenedicarboxylic acid?
The CAS number of 2-Hydroxy-1,3-benzenedicarboxylic acid is 606-19-9.
What is the molecular formula of 2-Hydroxy-1,3-benzenedicarboxylic acid?
The molecular formula of 2-Hydroxy-1,3-benzenedicarboxylic acid is C8H6O5.
What is the molecular weight of 2-Hydroxy-1,3-benzenedicarboxylic acid?
The molecular weight of 2-Hydroxy-1,3-benzenedicarboxylic acid is 182.02 g/mol.
Where can I buy 2-Hydroxy-1,3-benzenedicarboxylic acid?
You can request a quote for 2-Hydroxy-1,3-benzenedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-1,3-benzenedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-1,3-benzenedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.