2,2,4-Trimethylpentyl 2-methylpropanoate
TL;DR: 2,2,4-Trimethylpentyl 2-methylpropanoate (CAS 36679-74-0) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentyl 2-methylpropanoate
Also Known As: 2,2,4-Trimethylpentyl 2-methylpropanoate, 2,2,4-Trimethylpentyl isobutyrate, 2,2,4-Trimethylpentyl monoisobutyrate, 2,2,4-TRIMETHYLPENTYLMONOISOBUTYRATE, 2-02-00-00261 (Beilstein Handbook Reference)
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 36679-74-0 |
|---|---|
| SMILES | CC(C)CC(C)(C)COC(=O)C(C)C |
| InChIKey | BEOXQMJRQFNOGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethylpentyl 2-methylpropanoate (CAS 36679-74-0), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 2,2,4-trimethylpentyl 2-methylpropanoate.
Chemical Property Profile of 2,2,4-Trimethylpentyl 2-methylpropanoate
Property Insights of 2,2,4-Trimethylpentyl 2-methylpropanoate
The XLogP value of 4.0 indicates that 2,2,4-Trimethylpentyl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,4-Trimethylpentyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethylpentyl 2-methylpropanoate 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 2,2,4-Trimethylpentyl 2-methylpropanoate?
The CAS number of 2,2,4-Trimethylpentyl 2-methylpropanoate is 36679-74-0.
What is the molecular formula of 2,2,4-Trimethylpentyl 2-methylpropanoate?
The molecular formula of 2,2,4-Trimethylpentyl 2-methylpropanoate is C12H24O2.
What is the molecular weight of 2,2,4-Trimethylpentyl 2-methylpropanoate?
The molecular weight of 2,2,4-Trimethylpentyl 2-methylpropanoate is 200.18 g/mol.
Where can I buy 2,2,4-Trimethylpentyl 2-methylpropanoate?
You can request a quote for 2,2,4-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 2,2,4-Trimethylpentyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethylpentyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.