2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester
TL;DR: 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester (CAS 54644-42-7) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-4-methylphenyl) 2,2-dimethylpropanoate
Also Known As: 2-tert-Butyl-4-methylphenyl pivalate, 2-tert-Butyl-4-methylphenyl pivalate #, 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester, 2,2-Dimethylpropanoicacid2-tert-butyl-4-methylphenylester, 2-tert-butyl-4-methylphenyl 2,2-dimethylpropanoate
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 54644-42-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C(C)(C)C)C(C)(C)C |
| InChIKey | HMTIEICAGVOMMG-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester (CAS 54644-42-7), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: (2-tert-butyl-4-methylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester
Property Insights of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester
The XLogP value of 5.1 indicates that 2,2-Dimethylpropanoic acid 2-tert-butyl-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, 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanoic acid 2-tert-butyl-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 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester?
The CAS number of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester is 54644-42-7.
What is the molecular formula of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester?
The molecular formula of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester is C16H24O2.
What is the molecular weight of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester?
The molecular weight of 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester is 248.18 g/mol.
Where can I buy 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester?
You can request a quote for 2,2-Dimethylpropanoic acid 2-tert-butyl-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 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanoic acid 2-tert-butyl-4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.