4-Methyl-o-pyrocatechuic acid
TL;DR: 4-Methyl-o-pyrocatechuic acid (CAS 3929-89-3) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-4-methylbenzoic acid
Also Known As: 2,3-DIHYDROXY-4-METHYLBENZOIC ACID, 4-Methyl-o-pyrocatechuic acid, o-Pyrocatechuic acid, 4-methyl-, 2,3-dihydroxy-p-toluic acid, Benzoic acid, 2,3-dihydroxy-4-methyl-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 3929-89-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)O)O |
| InChIKey | UWYHEGBHZPUZEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-o-pyrocatechuic acid (CAS 3929-89-3), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,3-dihydroxy-4-methylbenzoic acid.
Chemical Property Profile of 4-Methyl-o-pyrocatechuic acid
Property Insights of 4-Methyl-o-pyrocatechuic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-o-pyrocatechuic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-o-pyrocatechuic acid. Following Lipinski's Rule of Five, 4-Methyl-o-pyrocatechuic acid has 3 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-Methyl-o-pyrocatechuic acid?
The CAS number of 4-Methyl-o-pyrocatechuic acid is 3929-89-3.
What is the molecular formula of 4-Methyl-o-pyrocatechuic acid?
The molecular formula of 4-Methyl-o-pyrocatechuic acid is C8H8O4.
What is the molecular weight of 4-Methyl-o-pyrocatechuic acid?
The molecular weight of 4-Methyl-o-pyrocatechuic acid is 168.04 g/mol.
Where can I buy 4-Methyl-o-pyrocatechuic acid?
You can request a quote for 4-Methyl-o-pyrocatechuic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-o-pyrocatechuic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-o-pyrocatechuic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.