Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
TL;DR: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester (CAS 36294-24-3) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, Ethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate, ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate, Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, 2-bromo-1-(2,6-dichlorophenyl)ethanone
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 36294-24-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | ZCWSUZJGZZFSHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester (CAS 36294-24-3), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
Property Insights of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
The XLogP value of 5.4 indicates that Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The CAS number of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is 36294-24-3.
What is the molecular formula of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The molecular formula of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is C19H30O3.
What is the molecular weight of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The molecular weight of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is 306.22 g/mol.
Where can I buy Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
You can request a quote for Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.