Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester
TL;DR: Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester (CAS 80853-88-9) is a chemical compound with molecular formula C26H28O4 and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate
Also Known As: 3-Phenoxybenzyl 2-(4-ethoxycarbonylphenyl)-2-methylpropyl ether, Ethyl 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))benzoate, Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester, ethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate, 3-Phenoxybenzyl 2-(4-carboethoxyphenyl)-2-methylpropyl ether
| Molecular Formula | C26H28O4 |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 6.15 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.19876 |
| Heavy Atoms | 30 |
| Complexity | 946.28235 |
Chemical Identifiers
| CAS Number | 80853-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester (CAS 80853-88-9), with molecular formula C26H28O4 and molecular weight 404.20 g/mol. IUPAC: ethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate.
Chemical Property Profile of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester
Property Insights of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester
The XLogP value of 6.15 indicates that Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester?
The CAS number of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester is 80853-88-9.
What is the molecular formula of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester?
The molecular formula of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester is C26H28O4.
What is the molecular weight of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester?
The molecular weight of Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester is 404.20 g/mol.
Where can I buy Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester?
You can request a quote for Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl 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-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl))-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.