6,10,13-Trimethyltetradecyl 3-methylbutanoate
TL;DR: 6,10,13-Trimethyltetradecyl 3-methylbutanoate (CAS 100508-44-9) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,10,13-trimethyltetradecyl 3-methylbutanoate
Also Known As: 6,10,13-Trimethyltetradecyl isovalerate, 6,10,13-Trimethyltetradecyl 3-methylbutanoate, WE(14:0(6Me,10Me,13Me)/4:0(3Me)), 6,10,13-Trimethyltetradecyl 3-methylbutanoate #, Butanoic acid, 3-methyl-, 6,10,13-trimethyltetradecyl ester
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 100508-44-9 |
|---|---|
| SMILES | CC(C)CCC(C)CCCC(C)CCCCCOC(=O)CC(C)C |
| InChIKey | APHRWGIGLRUJLA-UHFFFAOYSA-N |
Product Overview
6,10,13-Trimethyltetradecyl 3-methylbutanoate (CAS 100508-44-9), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: 6,10,13-trimethyltetradecyl 3-methylbutanoate.
Chemical Property Profile of 6,10,13-Trimethyltetradecyl 3-methylbutanoate
Property Insights of 6,10,13-Trimethyltetradecyl 3-methylbutanoate
The XLogP value of 8.8 indicates that 6,10,13-Trimethyltetradecyl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6,10,13-Trimethyltetradecyl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,10,13-Trimethyltetradecyl 3-methylbutanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,10,13-Trimethyltetradecyl 3-methylbutanoate?
The CAS number of 6,10,13-Trimethyltetradecyl 3-methylbutanoate is 100508-44-9.
What is the molecular formula of 6,10,13-Trimethyltetradecyl 3-methylbutanoate?
The molecular formula of 6,10,13-Trimethyltetradecyl 3-methylbutanoate is C22H44O2.
What is the molecular weight of 6,10,13-Trimethyltetradecyl 3-methylbutanoate?
The molecular weight of 6,10,13-Trimethyltetradecyl 3-methylbutanoate is 340.33 g/mol.
Where can I buy 6,10,13-Trimethyltetradecyl 3-methylbutanoate?
You can request a quote for 6,10,13-Trimethyltetradecyl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,10,13-Trimethyltetradecyl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 6,10,13-Trimethyltetradecyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.