2,2-Dimethylpropanoic acid, 4-chlorophenyl ester
TL;DR: 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester (CAS 126980-33-4) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2,2-dimethylpropanoate
Also Known As: 4-chlorophenyl 2,2-dimethylpropanoate, Pivalic acid 4-chlorophenyl ester, 4-chlorophenyl 2,2-dimethylpropionate, (4-chlorophenyl) 2,2-dimethylpropanoate, 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 126980-33-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | OYQBAUOEQCWQJN-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropanoic acid, 4-chlorophenyl ester (CAS 126980-33-4), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (4-chlorophenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester
Property Insights of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester
The XLogP value of 3.7 indicates that 2,2-Dimethylpropanoic acid, 4-chlorophenyl 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, 4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanoic acid, 4-chlorophenyl 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, 4-chlorophenyl ester?
The CAS number of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester is 126980-33-4.
What is the molecular formula of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester?
The molecular formula of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester is C11H13ClO2.
What is the molecular weight of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester?
The molecular weight of 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester is 212.06 g/mol.
Where can I buy 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester?
You can request a quote for 2,2-Dimethylpropanoic acid, 4-chlorophenyl 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, 4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanoic acid, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.