Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester
TL;DR: Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester (CAS 34874-75-4) 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 4-hydroxy-2-methoxy-3,6-dimethylbenzoate
Also Known As: Methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate, Methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate #, Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester, 4-Hydroxy-2-methoxy-3,6-dimethylbenzoic acid methyl ester
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 34874-75-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)OC)C)O |
| InChIKey | LPHVUYDIEIQKTA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester (CAS 34874-75-4), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate.
Chemical Property Profile of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester
Property Insights of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester 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 Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester?
The CAS number of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester is 34874-75-4.
What is the molecular formula of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester?
The molecular formula of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester is C11H14O4.
What is the molecular weight of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester?
The molecular weight of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester is 210.09 g/mol.
Where can I buy Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester?
You can request a quote for Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, 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, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.