Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate
TL;DR: Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate (CAS 34874-78-7) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Also Known As: Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate, Methyl 3,5,6-trimethylresorcylate, Benzoic acid, 2,4-dihydroxy-3,5,6-trimethyl-, methyl ester, Methyl-2,4-dihydroxy-3,5,6-trimethylbenzoat, Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoic acid
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 34874-78-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)OC)O)C)O)C |
| InChIKey | DMSHNIHYQFQGGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate (CAS 34874-78-7), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate.
Chemical Property Profile of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate
Property Insights of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate. Following Lipinski's Rule of Five, Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate has 2 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 Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate?
The CAS number of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate is 34874-78-7.
What is the molecular formula of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate?
The molecular formula of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate is C11H14O4.
What is the molecular weight of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate?
The molecular weight of Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate is 210.09 g/mol.
Where can I buy Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate?
You can request a quote for Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-Dihydroxy-3,5,6-Trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.