Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester
TL;DR: Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester (CAS 431982-02-4) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-ethoxy-3,5-dihydroxybenzoate
Also Known As: PROPYL 4-ETHOXY-3,5-DIHYDROXYBENZOATE, Propyl 4-ethoxy-3,5-dihydroxy-benzoate, Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester, J1.637.061D, 4-Ethoxy-3,5-dihydroxybenzoic acid propyl ester
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.0633 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 376.87762 |
Chemical Identifiers
| CAS Number | 431982-02-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)O)OCC)O |
Product Overview
Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester (CAS 431982-02-4), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: propyl 4-ethoxy-3,5-dihydroxybenzoate.
Chemical Property Profile of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester
Property Insights of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester
The XLogP value of 2.0633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester has 2 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 Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester?
The CAS number of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester is 431982-02-4.
What is the molecular formula of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester?
The molecular formula of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester is C12H16O5.
What is the molecular weight of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester?
The molecular weight of Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester is 240.10 g/mol.
Where can I buy Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester?
You can request a quote for Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-ethoxy-3,5-dihydroxy-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.