Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester
TL;DR: Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester (CAS 89013-80-9) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonylphenyl) 2-methylbenzoate
Also Known As: (4-ethoxycarbonylphenyl) 2-methylbenzoate, 4-(Ethoxycarbonyl)phenyl 2-methylbenzoate, Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.39092 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 644.0946 |
Chemical Identifiers
| CAS Number | 89013-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C |
Product Overview
Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester (CAS 89013-80-9), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: (4-ethoxycarbonylphenyl) 2-methylbenzoate.
Chemical Property Profile of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester
Property Insights of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester
The XLogP value of 3.39092 indicates that Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester has 0 hydrogen bond donor(s) and 4 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, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester?
The CAS number of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester is 89013-80-9.
What is the molecular formula of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester?
The molecular formula of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester is C17H16O4.
What is the molecular weight of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester?
The molecular weight of Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester is 284.10 g/mol.
Where can I buy Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester?
You can request a quote for Benzoic acid, 2-methyl-, 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, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-methyl-, 4-(ethoxycarbonyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.