2,2-Dimethylpropionic acid 2-tert-butylphenyl ester
TL;DR: 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester (CAS 54644-41-6) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylphenyl) 2,2-dimethylpropanoate
Also Known As: o-t-butylphenyl pivalate, 2-tert-Butylphenyl pivalate, 2-tert-Butylphenyl pivalate #, 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester, 2-tert-butylphenyl 2,2-dimethylpropanoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 54644-41-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OC(=O)C(C)(C)C |
| InChIKey | GFFGBZUNVQTSKN-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropionic acid 2-tert-butylphenyl ester (CAS 54644-41-6), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (2-tert-butylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester
Property Insights of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester
The XLogP value of 4.2 indicates that 2,2-Dimethylpropionic acid 2-tert-butylphenyl 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-Dimethylpropionic acid 2-tert-butylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester has 0 hydrogen bond donor(s) and 2 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 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester?
The CAS number of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester is 54644-41-6.
What is the molecular formula of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester?
The molecular formula of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester is C15H22O2.
What is the molecular weight of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester?
The molecular weight of 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester is 234.16 g/mol.
Where can I buy 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester?
You can request a quote for 2,2-Dimethylpropionic acid 2-tert-butylphenyl 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-Dimethylpropionic acid 2-tert-butylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropionic acid 2-tert-butylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.