Docosanoic acid, 1-methyl-1,2-ethanediyl ester
TL;DR: Docosanoic acid, 1-methyl-1,2-ethanediyl ester (CAS 61682-74-4) is a chemical compound with molecular formula C47H92O4 and molecular weight 720.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-docosanoyloxypropyl docosanoate
Also Known As: 1,2-Propanediol dibehenate, Propane-1,2-diyl didocosanoate, 2-docosanoyloxypropyl docosanoate, Docosanoic acid, 1-methyl-1,2-ethanediyl ester, docosanoic acid 2-docosanoyloxy-1-methyl-ethyl ester
| Molecular Formula | C47H92O4 |
|---|---|
| Molecular Weight | 720.70 g/mol |
| LogP | 16.1051 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 43 |
| Exact Mass | 720.6996 |
| Heavy Atoms | 51 |
| Complexity | 691.7538 |
Chemical Identifiers
| CAS Number | 61682-74-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
Product Overview
Docosanoic acid, 1-methyl-1,2-ethanediyl ester (CAS 61682-74-4), with molecular formula C47H92O4 and molecular weight 720.70 g/mol. IUPAC: 2-docosanoyloxypropyl docosanoate.
Chemical Property Profile of Docosanoic acid, 1-methyl-1,2-ethanediyl ester
Property Insights of Docosanoic acid, 1-methyl-1,2-ethanediyl ester
The XLogP value of 16.1051 indicates that Docosanoic acid, 1-methyl-1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Docosanoic acid, 1-methyl-1,2-ethanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosanoic acid, 1-methyl-1,2-ethanediyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docosanoic acid, 1-methyl-1,2-ethanediyl ester?
The CAS number of Docosanoic acid, 1-methyl-1,2-ethanediyl ester is 61682-74-4.
What is the molecular formula of Docosanoic acid, 1-methyl-1,2-ethanediyl ester?
The molecular formula of Docosanoic acid, 1-methyl-1,2-ethanediyl ester is C47H92O4.
What is the molecular weight of Docosanoic acid, 1-methyl-1,2-ethanediyl ester?
The molecular weight of Docosanoic acid, 1-methyl-1,2-ethanediyl ester is 720.70 g/mol.
Where can I buy Docosanoic acid, 1-methyl-1,2-ethanediyl ester?
You can request a quote for Docosanoic acid, 1-methyl-1,2-ethanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosanoic acid, 1-methyl-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, 1-methyl-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.