Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester (CAS 1620-64-0) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-ditert-butyl-4-hydroxybenzoate
Also Known As: ethyl 3,5-di-tert-butyl-4-hydroxybenzoate, Ethyl 3,5-ditert-butyl-4-hydroxybenzoate, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester, ETHYL3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE, 3,5-Di-tert-butyl-4-hydroxybenzoic acid, ethyl ester
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 1620-64-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | ACGYFGHQFAXLCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester (CAS 1620-64-0), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: ethyl 3,5-ditert-butyl-4-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
The XLogP value of 5.1 indicates that Benzoic 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, Benzoic 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, Benzoic 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 Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is 1620-64-0.
What is the molecular formula of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is C17H26O3.
What is the molecular weight of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester is 278.19 g/mol.
Where can I buy Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
You can request a quote for Benzoic 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 Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic 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.