Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester
TL;DR: Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester (CAS 65111-43-5) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxycarbonylphenyl) 4-ethoxybenzoate
Also Known As: Butyl 4-(4-ethoxybenzoyl)oxybenzoate, (4-butoxycarbonylphenyl) 4-ethoxybenzoate, 4-(Butoxycarbonyl)phenyl 4-ethoxybenzoate, Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester, Benzoic acid,4-ethoxy-,4-(butoxycarbonyl)phenyl ester
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 4.2614 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 689.0314 |
Chemical Identifiers
| CAS Number | 65111-43-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC |
Product Overview
Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester (CAS 65111-43-5), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: (4-butoxycarbonylphenyl) 4-ethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester
Property Insights of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester
The XLogP value of 4.2614 indicates that Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester has 0 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-, 4-(butoxycarbonyl)phenyl ester?
The CAS number of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester is 65111-43-5.
What is the molecular formula of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester?
The molecular formula of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester is C20H22O5.
What is the molecular weight of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester?
The molecular weight of Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester is 342.15 g/mol.
Where can I buy Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester?
You can request a quote for Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl 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-, 4-(butoxycarbonyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-ethoxy-, 4-(butoxycarbonyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.