2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester
TL;DR: 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester (CAS 61019-06-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 2,2-dimethylpropanoate
Also Known As: 3,5-dimethylphenyl pivalate, 3,5-DIMETHYLPHENYL 2,2-DIMETHYLPROPANOATE, 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester, (3,5-dimethylphenyl) 2,2-dimethylpropanoate, 1-(Pivaloyloxy)-3,5-dimethylbenzene
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 61019-06-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C(C)(C)C)C |
| InChIKey | UHUMTAJLAWWWEZ-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester (CAS 61019-06-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (3,5-dimethylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester
Property Insights of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester
The XLogP value of 3.8 indicates that 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl 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, 3,5-dimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl 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-Dimethylpropanoic acid, 3,5-dimethylphenyl ester?
The CAS number of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester is 61019-06-5.
What is the molecular formula of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester?
The molecular formula of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester is C13H18O2.
What is the molecular weight of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester?
The molecular weight of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester is 206.13 g/mol.
Where can I buy 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester?
You can request a quote for 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl 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, 3,5-dimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.