4-Hydroxyisophthalic acid
TL;DR: 4-Hydroxyisophthalic acid (CAS 636-46-4) 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.
4-hydroxybenzene-1,3-dicarboxylic acid
Also Known As: 4-Hydroxyisophthalic acid, Eupirina, 4-Hydroxy-m-phthalic acid, 4-Hydroxybenzene-1,3-dicarboxylic acid, Isophthalic acid, 4-hydroxy-
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 1.5 |
| 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 | 225.0 |
Chemical Identifiers
| CAS Number | 636-46-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)O |
| InChIKey | BCEQKAQCUWUNML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxyisophthalic acid (CAS 636-46-4), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 4-hydroxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Hydroxyisophthalic acid
Property Insights of 4-Hydroxyisophthalic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxyisophthalic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyisophthalic acid. Following Lipinski's Rule of Five, 4-Hydroxyisophthalic 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 4-Hydroxyisophthalic acid?
The CAS number of 4-Hydroxyisophthalic acid is 636-46-4.
What is the molecular formula of 4-Hydroxyisophthalic acid?
The molecular formula of 4-Hydroxyisophthalic acid is C8H6O5.
What is the molecular weight of 4-Hydroxyisophthalic acid?
The molecular weight of 4-Hydroxyisophthalic acid is 182.02 g/mol.
Where can I buy 4-Hydroxyisophthalic acid?
You can request a quote for 4-Hydroxyisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.