3,4,5-Triethoxybenzoic acid
TL;DR: 3,4,5-Triethoxybenzoic acid (CAS 6970-19-0) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxybenzoic acid
Also Known As: 3,4,5-Triethoxybenzoic acid, Dialifos, Benzoic acid, 3,4,5-triethoxy-, 3,4,5-TRIETHOXYBENZOICACID, Benzoic acid,3,4,5-triethoxy-
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 6970-19-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O |
| InChIKey | YCENSLDYFDZUMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Triethoxybenzoic acid (CAS 6970-19-0), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: 3,4,5-triethoxybenzoic acid.
Chemical Property Profile of 3,4,5-Triethoxybenzoic acid
Property Insights of 3,4,5-Triethoxybenzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Triethoxybenzoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Triethoxybenzoic acid. Following Lipinski's Rule of Five, 3,4,5-Triethoxybenzoic 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 3,4,5-Triethoxybenzoic acid?
The CAS number of 3,4,5-Triethoxybenzoic acid is 6970-19-0.
What is the molecular formula of 3,4,5-Triethoxybenzoic acid?
The molecular formula of 3,4,5-Triethoxybenzoic acid is C13H18O5.
What is the molecular weight of 3,4,5-Triethoxybenzoic acid?
The molecular weight of 3,4,5-Triethoxybenzoic acid is 254.12 g/mol.
Where can I buy 3,4,5-Triethoxybenzoic acid?
You can request a quote for 3,4,5-Triethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Triethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Triethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.