2,4,5-Trimethoxybenzoic acid
TL;DR: 2,4,5-Trimethoxybenzoic acid (CAS 490-64-2) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethoxybenzoic acid
Also Known As: 2,4,5-Trimethoxybenzoic acid, Asaronic acid, Asarylic acid, Benzoic acid, 2,4,5-trimethoxy-, Calamonic acid
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 490-64-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)O)OC)OC |
| InChIKey | KVZUCOGWKYOPID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethoxybenzoic acid (CAS 490-64-2), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: 2,4,5-trimethoxybenzoic acid.
Chemical Property Profile of 2,4,5-Trimethoxybenzoic acid
Property Insights of 2,4,5-Trimethoxybenzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethoxybenzoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trimethoxybenzoic acid. Following Lipinski's Rule of Five, 2,4,5-Trimethoxybenzoic acid has 1 hydrogen bond donor(s) and 5 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 2,4,5-Trimethoxybenzoic acid?
The CAS number of 2,4,5-Trimethoxybenzoic acid is 490-64-2.
What is the molecular formula of 2,4,5-Trimethoxybenzoic acid?
The molecular formula of 2,4,5-Trimethoxybenzoic acid is C10H12O5.
What is the molecular weight of 2,4,5-Trimethoxybenzoic acid?
The molecular weight of 2,4,5-Trimethoxybenzoic acid is 212.07 g/mol.
Where can I buy 2,4,5-Trimethoxybenzoic acid?
You can request a quote for 2,4,5-Trimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.