Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester
TL;DR: Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester (CAS 88874-52-6) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonylphenyl) 4-methoxybenzoate
Also Known As: Ethyl 4-(4-methoxybenzoyl)oxybenzoate, Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester, (4-ethoxycarbonylphenyl) 4-methoxybenzoate, 4-(Ethoxycarbonyl)phenyl 4-methoxybenzoate, ETHYL 4-(4-METHOXYBENZOYLOXY)BENZOATE
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.0911 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 643.75446 |
Chemical Identifiers
| CAS Number | 88874-52-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC |
Product Overview
Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester (CAS 88874-52-6), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: (4-ethoxycarbonylphenyl) 4-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester
Property Insights of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester
The XLogP value of 3.0911 indicates that Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)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-methoxy-, 4-(ethoxycarbonyl)phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)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-methoxy-, 4-(ethoxycarbonyl)phenyl ester?
The CAS number of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester is 88874-52-6.
What is the molecular formula of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester?
The molecular formula of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester is C17H16O5.
What is the molecular weight of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester?
The molecular weight of Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester is 300.10 g/mol.
Where can I buy Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester?
You can request a quote for Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)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-methoxy-, 4-(ethoxycarbonyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methoxy-, 4-(ethoxycarbonyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.