3,4-Diethoxybenzoic acid
TL;DR: 3,4-Diethoxybenzoic acid (CAS 5409-31-4) 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.
3,4-diethoxybenzoic acid
Also Known As: 3,4-Diethoxybenzoic acid, 3,4-diethoxy-benzoic acid, Benzoic acid, 3,4-diethoxy-, BENZOICACID34diethoxy, Drotaverin Impurity 50
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5409-31-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| InChIKey | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diethoxybenzoic acid (CAS 5409-31-4), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 3,4-diethoxybenzoic acid.
Chemical Property Profile of 3,4-Diethoxybenzoic acid
Property Insights of 3,4-Diethoxybenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diethoxybenzoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3,4-Diethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diethoxybenzoic acid 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 3,4-Diethoxybenzoic acid?
The CAS number of 3,4-Diethoxybenzoic acid is 5409-31-4.
What is the molecular formula of 3,4-Diethoxybenzoic acid?
The molecular formula of 3,4-Diethoxybenzoic acid is C11H14O4.
What is the molecular weight of 3,4-Diethoxybenzoic acid?
The molecular weight of 3,4-Diethoxybenzoic acid is 210.09 g/mol.
Where can I buy 3,4-Diethoxybenzoic acid?
You can request a quote for 3,4-Diethoxybenzoic 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-Diethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.