Isobutyl docosanoate
TL;DR: Isobutyl docosanoate (CAS 26719-01-7) is a chemical compound with molecular formula C26H52O2 and molecular weight 396.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl docosanoate
Also Known As: Isobutyl docosanoate, isobutyldocosanoate, 2-methylpropyl docosanoate, Behenic acid isobutyl ester, EINECS 247-924-2
| Molecular Formula | C26H52O2 |
|---|---|
| Molecular Weight | 396.40 g/mol |
| LogP | 9.0075 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 396.39673 |
| Heavy Atoms | 28 |
| Complexity | 311.5547 |
Chemical Identifiers
| CAS Number | 26719-01-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C |
Product Overview
Isobutyl docosanoate (CAS 26719-01-7), with molecular formula C26H52O2 and molecular weight 396.40 g/mol. IUPAC: 2-methylpropyl docosanoate.
Chemical Property Profile of Isobutyl docosanoate
Property Insights of Isobutyl docosanoate
The XLogP value of 9.0075 indicates that Isobutyl docosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl docosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl docosanoate 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 Isobutyl docosanoate?
The CAS number of Isobutyl docosanoate is 26719-01-7.
What is the molecular formula of Isobutyl docosanoate?
The molecular formula of Isobutyl docosanoate is C26H52O2.
What is the molecular weight of Isobutyl docosanoate?
The molecular weight of Isobutyl docosanoate is 396.40 g/mol.
Where can I buy Isobutyl docosanoate?
You can request a quote for Isobutyl docosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl docosanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.