Undecyl 2-methylpropanoate
TL;DR: Undecyl 2-methylpropanoate (CAS 6317-72-2) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 2-methylpropanoate
Also Known As: Undecyl isobutyrate, undecyl 2-methylpropanoate, Isobuttersaureundecylester, WE(11:0/3:0(2Me)), 5-ethyl-2-(4-propan-2-ylphenyl)-4-propyl-1,3-dioxane
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 6317-72-2 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C(C)C |
| InChIKey | ZINZKLWPDCKZJA-UHFFFAOYSA-N |
Product Overview
Undecyl 2-methylpropanoate (CAS 6317-72-2), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: undecyl 2-methylpropanoate.
Chemical Property Profile of Undecyl 2-methylpropanoate
Property Insights of Undecyl 2-methylpropanoate
The XLogP value of 6.1 indicates that Undecyl 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, Undecyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl 2-methylpropanoate 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 Undecyl 2-methylpropanoate?
The CAS number of Undecyl 2-methylpropanoate is 6317-72-2.
What is the molecular formula of Undecyl 2-methylpropanoate?
The molecular formula of Undecyl 2-methylpropanoate is C15H30O2.
What is the molecular weight of Undecyl 2-methylpropanoate?
The molecular weight of Undecyl 2-methylpropanoate is 242.22 g/mol.
Where can I buy Undecyl 2-methylpropanoate?
You can request a quote for Undecyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.