2,2-Dimethylpropanoic acid, 3-methylphenyl ester
TL;DR: 2,2-Dimethylpropanoic acid, 3-methylphenyl ester (CAS 72569-06-3) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2,2-dimethylpropanoate
Also Known As: 3-methylphenyl pivalate, 3-methylphenyl 2,2-dimethylpropanoate, (3-methylphenyl) 2,2-dimethylpropanoate, 2,2-Dimethylpropanoic acid, 3-methylphenyl ester, 2,2-dimethyl-propionic acid 3-methyl-phenyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 72569-06-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C(C)(C)C |
| InChIKey | CHJUBXZEBVYVQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylpropanoic acid, 3-methylphenyl ester (CAS 72569-06-3), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (3-methylphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester
Property Insights of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester
The XLogP value of 3.5 indicates that 2,2-Dimethylpropanoic acid, 3-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, 3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanoic acid, 3-methylphenyl 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-methylphenyl ester?
The CAS number of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester is 72569-06-3.
What is the molecular formula of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester?
The molecular formula of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester is C12H16O2.
What is the molecular weight of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester?
The molecular weight of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester is 192.12 g/mol.
Where can I buy 2,2-Dimethylpropanoic acid, 3-methylphenyl ester?
You can request a quote for 2,2-Dimethylpropanoic acid, 3-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, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanoic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.