Ethane-1,2-diyl diheptacosanoate
TL;DR: Ethane-1,2-diyl diheptacosanoate (CAS 68439-88-3) is a chemical compound with molecular formula C56H110O4 and molecular weight 846.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptacosanoyloxyethyl heptacosanoate
Also Known As: ethane-1,2-diyl diheptacosanoate, 1,2-Ethanediol, di-C27-47-carboxylates, 2-heptacosanoyloxyethyl heptacosanoate, (C24-C44) alpha olefins, propionic acid reaction product, ethylene glycol ester (2:1)
| Molecular Formula | C56H110O4 |
|---|---|
| Molecular Weight | 846.84 g/mol |
| LogP | 26.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 55 |
| Exact Mass | 846.8404 |
| Heavy Atoms | 60 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 68439-88-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC |
| InChIKey | DTQQCCZJXXOHQL-UHFFFAOYSA-N |
Product Overview
Ethane-1,2-diyl diheptacosanoate (CAS 68439-88-3), with molecular formula C56H110O4 and molecular weight 846.84 g/mol. IUPAC: 2-heptacosanoyloxyethyl heptacosanoate.
Chemical Property Profile of Ethane-1,2-diyl diheptacosanoate
Property Insights of Ethane-1,2-diyl diheptacosanoate
The XLogP value of 26.6 indicates that Ethane-1,2-diyl diheptacosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethane-1,2-diyl diheptacosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane-1,2-diyl diheptacosanoate 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 Ethane-1,2-diyl diheptacosanoate?
The CAS number of Ethane-1,2-diyl diheptacosanoate is 68439-88-3.
What is the molecular formula of Ethane-1,2-diyl diheptacosanoate?
The molecular formula of Ethane-1,2-diyl diheptacosanoate is C56H110O4.
What is the molecular weight of Ethane-1,2-diyl diheptacosanoate?
The molecular weight of Ethane-1,2-diyl diheptacosanoate is 846.84 g/mol.
Where can I buy Ethane-1,2-diyl diheptacosanoate?
You can request a quote for Ethane-1,2-diyl diheptacosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane-1,2-diyl diheptacosanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethane-1,2-diyl diheptacosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.