Pivalic acid, 2-methylpropyl ester
TL;DR: Pivalic acid, 2-methylpropyl ester (CAS 5129-38-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2,2-dimethylpropanoate
Also Known As: iso-Butyl pivalate, ISOBUTYL PIVALATE, pivalic acid isobutyl ester, Pivalic acid, 2-methylpropyl ester, 2-methylpropyl 2,2-dimethylpropanoate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 5129-38-4 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)(C)C |
| InChIKey | IFVLZKSUYNTRHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivalic acid, 2-methylpropyl ester (CAS 5129-38-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-methylpropyl 2,2-dimethylpropanoate.
Chemical Property Profile of Pivalic acid, 2-methylpropyl ester
Property Insights of Pivalic acid, 2-methylpropyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalic acid, 2-methylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Pivalic acid, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalic acid, 2-methylpropyl 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 Pivalic acid, 2-methylpropyl ester?
The CAS number of Pivalic acid, 2-methylpropyl ester is 5129-38-4.
What is the molecular formula of Pivalic acid, 2-methylpropyl ester?
The molecular formula of Pivalic acid, 2-methylpropyl ester is C9H18O2.
What is the molecular weight of Pivalic acid, 2-methylpropyl ester?
The molecular weight of Pivalic acid, 2-methylpropyl ester is 158.13 g/mol.
Where can I buy Pivalic acid, 2-methylpropyl ester?
You can request a quote for Pivalic acid, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalic acid, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pivalic acid, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.