Docosanoic acid, 1,4-butanediyl ester
TL;DR: Docosanoic acid, 1,4-butanediyl ester (CAS 61682-72-2) is a chemical compound with molecular formula C48H94O4 and molecular weight 734.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-docosanoyloxybutyl docosanoate
Also Known As: 1,4-Butanediol dibehenate, Docosanoic acid, 1,4-butanediyl ester, Butane-1,4-diyl didocosanoate, Dibehenic acid 1,4-butanediyl, 4-docosanoyloxybutyl docosanoate
| Molecular Formula | C48H94O4 |
|---|---|
| Molecular Weight | 734.72 g/mol |
| LogP | 16.4968 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 45 |
| Exact Mass | 734.7152 |
| Heavy Atoms | 52 |
| Complexity | 633.8705 |
Chemical Identifiers
| CAS Number | 61682-72-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC |
Product Overview
Docosanoic acid, 1,4-butanediyl ester (CAS 61682-72-2), with molecular formula C48H94O4 and molecular weight 734.72 g/mol. IUPAC: 4-docosanoyloxybutyl docosanoate.
Chemical Property Profile of Docosanoic acid, 1,4-butanediyl ester
Property Insights of Docosanoic acid, 1,4-butanediyl ester
The XLogP value of 16.4968 indicates that Docosanoic acid, 1,4-butanediyl 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, 1,4-butanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosanoic acid, 1,4-butanediyl 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, 1,4-butanediyl ester?
The CAS number of Docosanoic acid, 1,4-butanediyl ester is 61682-72-2.
What is the molecular formula of Docosanoic acid, 1,4-butanediyl ester?
The molecular formula of Docosanoic acid, 1,4-butanediyl ester is C48H94O4.
What is the molecular weight of Docosanoic acid, 1,4-butanediyl ester?
The molecular weight of Docosanoic acid, 1,4-butanediyl ester is 734.72 g/mol.
Where can I buy Docosanoic acid, 1,4-butanediyl ester?
You can request a quote for Docosanoic acid, 1,4-butanediyl 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, 1,4-butanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, 1,4-butanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.