3-Ethoxy-4-propoxybenzoic acid
TL;DR: 3-Ethoxy-4-propoxybenzoic acid (CAS 942474-36-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-propoxybenzoic acid
Also Known As: 3-ethoxy-4-propoxybenzoic acid, 3-ethoxy-4-propoxy-benzoic Acid, 3-ethoxy-4-propoxybenzoicacid, ethyl 4-toluidinocarbothioylcarbamate, 4-[3-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.5723 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 360.03644 |
Chemical Identifiers
| CAS Number | 942474-36-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C(=O)O)OCC |
Product Overview
3-Ethoxy-4-propoxybenzoic acid (CAS 942474-36-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 3-ethoxy-4-propoxybenzoic acid.
Chemical Property Profile of 3-Ethoxy-4-propoxybenzoic acid
Property Insights of 3-Ethoxy-4-propoxybenzoic acid
The XLogP value of 2.5723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-propoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Ethoxy-4-propoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-4-propoxybenzoic acid has 1 hydrogen bond donor(s) and 3 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-Ethoxy-4-propoxybenzoic acid?
The CAS number of 3-Ethoxy-4-propoxybenzoic acid is 942474-36-4.
What is the molecular formula of 3-Ethoxy-4-propoxybenzoic acid?
The molecular formula of 3-Ethoxy-4-propoxybenzoic acid is C12H16O4.
What is the molecular weight of 3-Ethoxy-4-propoxybenzoic acid?
The molecular weight of 3-Ethoxy-4-propoxybenzoic acid is 224.10 g/mol.
Where can I buy 3-Ethoxy-4-propoxybenzoic acid?
You can request a quote for 3-Ethoxy-4-propoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-propoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-propoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.