Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester
TL;DR: Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester (CAS 67880-33-5) 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.
2-methylpropyl 3,5-ditert-butyl-4-hydroxybenzoate
Also Known As: DTBB, D 53, 2-methylpropyl 3,5-ditert-butyl-4-hydroxybenzoate, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester, 2-methylpropyl 4-hydroxy-3,5-ditert-butyl-benzoate
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 507.77432 |
Chemical Identifiers
| CAS Number | 67880-33-5 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester (CAS 67880-33-5), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: 2-methylpropyl 3,5-ditert-butyl-4-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester
Property Insights of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester
The XLogP value of 4.8 indicates that Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl 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-, 2-methylpropyl ester has 1 hydrogen bond donor(s) and 3 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, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester?
The CAS number of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester is 67880-33-5.
What is the molecular formula of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester?
The molecular formula of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester is C19H30O3.
What is the molecular weight of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester?
The molecular weight of Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester is 306.22 g/mol.
Where can I buy Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester?
You can request a quote for Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl 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-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.