2-Ethyl-6-methyl-4-propoxybenzoic acid
TL;DR: 2-Ethyl-6-methyl-4-propoxybenzoic acid (CAS 501357-78-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-methyl-4-propoxybenzoic acid
Also Known As: 2-ethyl-6-methyl-4-propoxybenzoic acid, Benzoic acid, 2-ethyl-6-methyl-4-propoxy- (9CI)
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 501357-78-4 |
|---|---|
| SMILES | CCCOC1=CC(=C(C(=C1)C)C(=O)O)CC |
| InChIKey | BQSQUHFJCFUYRX-UHFFFAOYSA-N |
Product Overview
2-Ethyl-6-methyl-4-propoxybenzoic acid (CAS 501357-78-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-ethyl-6-methyl-4-propoxybenzoic acid.
Chemical Property Profile of 2-Ethyl-6-methyl-4-propoxybenzoic acid
Property Insights of 2-Ethyl-6-methyl-4-propoxybenzoic acid
The XLogP value of 3.5 indicates that 2-Ethyl-6-methyl-4-propoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Ethyl-6-methyl-4-propoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-6-methyl-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 2-Ethyl-6-methyl-4-propoxybenzoic acid?
The CAS number of 2-Ethyl-6-methyl-4-propoxybenzoic acid is 501357-78-4.
What is the molecular formula of 2-Ethyl-6-methyl-4-propoxybenzoic acid?
The molecular formula of 2-Ethyl-6-methyl-4-propoxybenzoic acid is C13H18O3.
What is the molecular weight of 2-Ethyl-6-methyl-4-propoxybenzoic acid?
The molecular weight of 2-Ethyl-6-methyl-4-propoxybenzoic acid is 222.13 g/mol.
Where can I buy 2-Ethyl-6-methyl-4-propoxybenzoic acid?
You can request a quote for 2-Ethyl-6-methyl-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 2-Ethyl-6-methyl-4-propoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-6-methyl-4-propoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.