Ethyl pentacontanoate
TL;DR: Ethyl pentacontanoate (CAS 40710-37-0) is a chemical compound with molecular formula C52H104O2 and molecular weight 760.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pentacontanoate
Also Known As: Ethyl pentacontanoate, Pentacontanoicacidethylester, Pentacontanoic acid, ethyl ester, Pentacontanoic acid ethyl ester
| Molecular Formula | C52H104O2 |
|---|---|
| Molecular Weight | 760.80 g/mol |
| LogP | 26.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 50 |
| Exact Mass | 760.80365 |
| Heavy Atoms | 54 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 40710-37-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
| InChIKey | UIULKROHWSDVOC-UHFFFAOYSA-N |
Product Overview
Ethyl pentacontanoate (CAS 40710-37-0), with molecular formula C52H104O2 and molecular weight 760.80 g/mol. IUPAC: ethyl pentacontanoate.
Chemical Property Profile of Ethyl pentacontanoate
Property Insights of Ethyl pentacontanoate
The XLogP value of 26.2 indicates that Ethyl pentacontanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl pentacontanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pentacontanoate 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 Ethyl pentacontanoate?
The CAS number of Ethyl pentacontanoate is 40710-37-0.
What is the molecular formula of Ethyl pentacontanoate?
The molecular formula of Ethyl pentacontanoate is C52H104O2.
What is the molecular weight of Ethyl pentacontanoate?
The molecular weight of Ethyl pentacontanoate is 760.80 g/mol.
Where can I buy Ethyl pentacontanoate?
You can request a quote for Ethyl pentacontanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pentacontanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pentacontanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.