Octadecanoic acid, 1,4-butanediyl ester
TL;DR: Octadecanoic acid, 1,4-butanediyl ester (CAS 33587-21-2) is a chemical compound with molecular formula C40H78O4 and molecular weight 622.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octadecanoyloxybutyl octadecanoate
Also Known As: Tetramethylene distearate, butanediol distearate, tetramethylenedistearate, 1,4-butanediol distearate, Butane-1,4-diol distearate
| Molecular Formula | C40H78O4 |
|---|---|
| Molecular Weight | 622.59 g/mol |
| LogP | 17.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 39 |
| Exact Mass | 622.59 |
| Heavy Atoms | 44 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 33587-21-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | SCSIKTWVGSGLCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 1,4-butanediyl ester (CAS 33587-21-2), with molecular formula C40H78O4 and molecular weight 622.59 g/mol. IUPAC: 4-octadecanoyloxybutyl octadecanoate.
Chemical Property Profile of Octadecanoic acid, 1,4-butanediyl ester
Property Insights of Octadecanoic acid, 1,4-butanediyl ester
The XLogP value of 17.5 indicates that Octadecanoic 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, Octadecanoic acid, 1,4-butanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic 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 Octadecanoic acid, 1,4-butanediyl ester?
The CAS number of Octadecanoic acid, 1,4-butanediyl ester is 33587-21-2.
What is the molecular formula of Octadecanoic acid, 1,4-butanediyl ester?
The molecular formula of Octadecanoic acid, 1,4-butanediyl ester is C40H78O4.
What is the molecular weight of Octadecanoic acid, 1,4-butanediyl ester?
The molecular weight of Octadecanoic acid, 1,4-butanediyl ester is 622.59 g/mol.
Where can I buy Octadecanoic acid, 1,4-butanediyl ester?
You can request a quote for Octadecanoic 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 Octadecanoic acid, 1,4-butanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 1,4-butanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.