Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester (CAS 54644-43-8) is a chemical compound with molecular formula C20H32O2 and molecular weight 304.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-ditert-butyl-4-methylphenyl) 2,2-dimethylpropanoate
Also Known As: 2,6-Ditert-butyl-4-methylphenyl pivalate, 2,6-Ditert-butyl-4-methylphenyl pivalate #, 2,6-di-tert-butyl-4-methylphenyl 2,2-dimethylpropanoate, (2,6-ditert-butyl-4-methylphenyl) 2,2-dimethylpropanoate, 2,2-Dimethylpropanoic acid 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
| Molecular Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.24 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.24023 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 54644-43-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C(C)(C)C)C(C)(C)C |
| InChIKey | KZMNNVPXUAUMQC-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester (CAS 54644-43-8), with molecular formula C20H32O2 and molecular weight 304.24 g/mol. IUPAC: (2,6-ditert-butyl-4-methylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
The XLogP value of 6.8 indicates that Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester is 54644-43-8.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester is C20H32O2.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester is 304.24 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.