Benzoic acid, 2,6-dimethoxy-, methyl ester
TL;DR: Benzoic acid, 2,6-dimethoxy-, methyl ester (CAS 2065-27-2) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dimethoxybenzoate
Also Known As: Methyl 2,6-dimethoxybenzoate, 2,6-dimethoxybenzoic acid methyl ester, methyl2,6-dimethoxybenzoate, Methyl 2,6-Dimethoxybenzate, Benzoic acid, 2,6-dimethoxy-, methyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 2065-27-2 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OC |
| InChIKey | XLXVNKPXOIYLLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,6-dimethoxy-, methyl ester (CAS 2065-27-2), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 2,6-dimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2,6-dimethoxy-, methyl ester
Property Insights of Benzoic acid, 2,6-dimethoxy-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,6-dimethoxy-, methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Benzoic acid, 2,6-dimethoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,6-dimethoxy-, methyl ester has 0 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, 2,6-dimethoxy-, methyl ester?
The CAS number of Benzoic acid, 2,6-dimethoxy-, methyl ester is 2065-27-2.
What is the molecular formula of Benzoic acid, 2,6-dimethoxy-, methyl ester?
The molecular formula of Benzoic acid, 2,6-dimethoxy-, methyl ester is C10H12O4.
What is the molecular weight of Benzoic acid, 2,6-dimethoxy-, methyl ester?
The molecular weight of Benzoic acid, 2,6-dimethoxy-, methyl ester is 196.07 g/mol.
Where can I buy Benzoic acid, 2,6-dimethoxy-, methyl ester?
You can request a quote for Benzoic acid, 2,6-dimethoxy-, 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, 2,6-dimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,6-dimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.