Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
TL;DR: Benzoic acid, 2-hydroxy-4-methyl-, methyl ester (CAS 4670-56-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-methylbenzoate
Also Known As: Methyl 4-methylsalicylate, Methyl 2-hydroxy-4-methylbenzoate, Methyl m-Cresotate, methyl salicylate, Methyl hydroxytoluate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 4670-56-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)OC)O |
| InChIKey | UITFCFWKYAOJEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-hydroxy-4-methyl-, methyl ester (CAS 4670-56-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 2-hydroxy-4-methylbenzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
Property Insights of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
The XLogP value of 3.3 indicates that Benzoic acid, 2-hydroxy-4-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 2-hydroxy-4-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-4-methyl-, methyl ester has 1 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 Benzoic acid, 2-hydroxy-4-methyl-, methyl ester?
The CAS number of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester is 4670-56-8.
What is the molecular formula of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester is C9H10O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-4-methyl-, methyl ester is 166.06 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-4-methyl-, methyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-4-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-4-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-4-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.