Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester (CAS 98451-63-9) 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.
(4-tert-butylphenyl) 2,2-dimethylpropanoate
Also Known As: p-t-butyl-phenyl trimethylacetate, Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester, (4-tert-butylphenyl) 2,2-dimethylpropanoate, 4-TERT-BUTYLPHENYL 2,2-DIMETHYLPROPANOATE, RefChem:374614
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.6 |
| 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 | 260.0 |
Chemical Identifiers
| CAS Number | 98451-63-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C(C)(C)C |
| InChIKey | BFJIEOCAOZKIER-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester (CAS 98451-63-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4-tert-butylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester
The XLogP value of 4.6 indicates that Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl 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-, 4-(1,1-dimethylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl 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 Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester is 98451-63-9.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester is C15H22O2.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester is 234.16 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl 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-, 4-(1,1-dimethylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 4-(1,1-dimethylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.