Methyl 3-hydroxy-4-methylbenzoate
TL;DR: Methyl 3-hydroxy-4-methylbenzoate (CAS 101469-92-5) 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 3-hydroxy-4-methylbenzoate
Also Known As: methyl 3-hydroxy-4-methylbenzoate, Methyl 4-Methyl-3-hydroxybenzoate, 3-Hydroxy-4-methyl-benzoic acid methyl ester, 3,4-Cresotic acid methyl ester, (S)-N-Boc-3-hydroxypyrrolidine
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.9 |
| 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 | 101469-92-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)O |
| InChIKey | GCSINTLJUNXLLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-4-methylbenzoate (CAS 101469-92-5), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 3-hydroxy-4-methylbenzoate.
Chemical Property Profile of Methyl 3-hydroxy-4-methylbenzoate
Property Insights of Methyl 3-hydroxy-4-methylbenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-4-methylbenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxy-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-4-methylbenzoate 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 Methyl 3-hydroxy-4-methylbenzoate?
The CAS number of Methyl 3-hydroxy-4-methylbenzoate is 101469-92-5.
What is the molecular formula of Methyl 3-hydroxy-4-methylbenzoate?
The molecular formula of Methyl 3-hydroxy-4-methylbenzoate is C9H10O3.
What is the molecular weight of Methyl 3-hydroxy-4-methylbenzoate?
The molecular weight of Methyl 3-hydroxy-4-methylbenzoate is 166.06 g/mol.
Where can I buy Methyl 3-hydroxy-4-methylbenzoate?
You can request a quote for Methyl 3-hydroxy-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.