3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
TL;DR: 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate (CAS 74367-34-3) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
Also Known As: c12-propanate B, Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester, 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate, 2,4,4-Trimethyl-1,3-pentanediol 1-isobutyrate, (3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 74367-34-3 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)C(C(C)(C)C)O |
| InChIKey | WXFRFCWHHBELIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate (CAS 74367-34-3), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: (3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate.
Chemical Property Profile of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
Property Insights of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
The XLogP value of 3.1 indicates that 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate 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 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate?
The CAS number of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate is 74367-34-3.
What is the molecular formula of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate?
The molecular formula of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate is C12H24O3.
What is the molecular weight of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate?
The molecular weight of 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate is 216.17 g/mol.
Where can I buy 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate?
You can request a quote for 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.