Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
TL;DR: Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester (CAS 5919-84-6) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethylpropyl) 2-methylpropanoate
Also Known As: 3-Hydroxy-2,2-dimethylpropyl isobutyrate, Neopentyl glycol monoisobutyrate, 3-hydroxy-2,2-dimethylpropyl 2-methylpropanoate, (3-hydroxy-2,2-dimethylpropyl) 2-methylpropanoate, 3-hydroxy-2,2-dimethylpropylisobutyrate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 5919-84-6 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)(C)CO |
| InChIKey | HNWHVVWRJAXEEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester (CAS 5919-84-6), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
Property Insights of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester has 1 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 Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The CAS number of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester is 5919-84-6.
What is the molecular formula of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester is C9H18O3.
What is the molecular weight of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester is 174.13 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.