2,2-Dimethyl-3-oxopropyl isobutyrate
TL;DR: 2,2-Dimethyl-3-oxopropyl isobutyrate (CAS 32783-82-7) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-oxopropyl) 2-methylpropanoate
Also Known As: 2,2-Dimethyl-3-oxopropyl isobutyrate, Isobutyryloxypivalinaldehyd, isopropylcarbonyloxypivalaldehyde, 2,2-dimethyl-3-oxopropyl 2-methylpropanoate, 2,2-Dimethyl-3-isobutyroxypropanal
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 32783-82-7 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)(C)C=O |
| InChIKey | APOPEBBNNFTQET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-3-oxopropyl isobutyrate (CAS 32783-82-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (2,2-dimethyl-3-oxopropyl) 2-methylpropanoate.
Chemical Property Profile of 2,2-Dimethyl-3-oxopropyl isobutyrate
Property Insights of 2,2-Dimethyl-3-oxopropyl isobutyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-oxopropyl isobutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, 2,2-Dimethyl-3-oxopropyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-oxopropyl isobutyrate has 0 hydrogen bond donor(s) and 3 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-Dimethyl-3-oxopropyl isobutyrate?
The CAS number of 2,2-Dimethyl-3-oxopropyl isobutyrate is 32783-82-7.
What is the molecular formula of 2,2-Dimethyl-3-oxopropyl isobutyrate?
The molecular formula of 2,2-Dimethyl-3-oxopropyl isobutyrate is C9H16O3.
What is the molecular weight of 2,2-Dimethyl-3-oxopropyl isobutyrate?
The molecular weight of 2,2-Dimethyl-3-oxopropyl isobutyrate is 172.11 g/mol.
Where can I buy 2,2-Dimethyl-3-oxopropyl isobutyrate?
You can request a quote for 2,2-Dimethyl-3-oxopropyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-oxopropyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-oxopropyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.