Docosyl heptadecanoate
TL;DR: Docosyl heptadecanoate (CAS 42218-25-7) is a chemical compound with molecular formula C39H78O2 and molecular weight 578.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
docosyl heptadecanoate
Also Known As: docosyl heptadecanoate, behenyl heptadecanoate, Heptadecanoic acid,docosyl ester, Heptadecanoic acid, docosyl ester, RefChem:339359
| Molecular Formula | C39H78O2 |
|---|---|
| Molecular Weight | 578.60 g/mol |
| LogP | 19.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 37 |
| Exact Mass | 578.60016 |
| Heavy Atoms | 41 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 42218-25-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC |
| InChIKey | FSOWIQTZALIXKC-UHFFFAOYSA-N |
Product Overview
Docosyl heptadecanoate (CAS 42218-25-7), with molecular formula C39H78O2 and molecular weight 578.60 g/mol. IUPAC: docosyl heptadecanoate.
Chemical Property Profile of Docosyl heptadecanoate
Property Insights of Docosyl heptadecanoate
The XLogP value of 19.0 indicates that Docosyl heptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Docosyl heptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosyl heptadecanoate 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 Docosyl heptadecanoate?
The CAS number of Docosyl heptadecanoate is 42218-25-7.
What is the molecular formula of Docosyl heptadecanoate?
The molecular formula of Docosyl heptadecanoate is C39H78O2.
What is the molecular weight of Docosyl heptadecanoate?
The molecular weight of Docosyl heptadecanoate is 578.60 g/mol.
Where can I buy Docosyl heptadecanoate?
You can request a quote for Docosyl heptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosyl heptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Docosyl heptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.