Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate
TL;DR: Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate (CAS 34874-83-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate
Also Known As: Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate, Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate #, Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, methyl ester, 4-Hydroxy-2-methoxy-3,5,6-trimethylbenzoic acid methyl ester, RefChem:355731
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 34874-83-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)OC)OC)C)O)C |
| InChIKey | UCGSEFPFVKCJLI-UHFFFAOYSA-N |
Product Overview
Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate (CAS 34874-83-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate.
Chemical Property Profile of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate
Property Insights of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate has 1 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 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate?
The CAS number of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate is 34874-83-4.
What is the molecular formula of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate?
The molecular formula of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate is C12H16O4.
What is the molecular weight of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate?
The molecular weight of Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate is 224.10 g/mol.
Where can I buy Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate?
You can request a quote for Methyl 4-hydroxy-2-methoxy-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 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.