4-Hydroxy-3-methylbenzoic acid
TL;DR: 4-Hydroxy-3-methylbenzoic acid (CAS 499-76-3) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methylbenzoic acid
Also Known As: 4-Hydroxy-3-methylbenzoic acid, 4-Hydroxy-m-toluic acid, 4,3-Cresotic acid, null, Butetamate
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Solubility | 11.6 mg/mL at 100 °C |
Chemical Identifiers
| CAS Number | 499-76-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)O |
| InChIKey | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-methylbenzoic acid (CAS 499-76-3), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 4-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of 4-Hydroxy-3-methylbenzoic acid
Property Insights of 4-Hydroxy-3-methylbenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methylbenzoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-3-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-methylbenzoic acid has 2 hydrogen bond donor(s) and 3 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-Hydroxy-3-methylbenzoic acid?
The CAS number of 4-Hydroxy-3-methylbenzoic acid is 499-76-3.
What is the molecular formula of 4-Hydroxy-3-methylbenzoic acid?
The molecular formula of 4-Hydroxy-3-methylbenzoic acid is C8H8O3.
What is the molecular weight of 4-Hydroxy-3-methylbenzoic acid?
The molecular weight of 4-Hydroxy-3-methylbenzoic acid is 152.05 g/mol.
Where can I buy 4-Hydroxy-3-methylbenzoic acid?
You can request a quote for 4-Hydroxy-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.