Docosanoic acid, 12-hydroxyoctadecyl ester
TL;DR: Docosanoic acid, 12-hydroxyoctadecyl ester (CAS 4151-25-1) is a chemical compound with molecular formula C40H80O3 and molecular weight 608.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-hydroxyoctadecyl docosanoate
Also Known As: 12-Hydroxyoctadecyl docosanoate, 12-hydroxyoctadecyldocosanoate, Docosanoic acid, 12-hydroxyoctadecyl ester, Behenic acid 12-hydroxyoctadecyl ester, Docosanoic acid 12-hydroxyoctadecyl ester
| Molecular Formula | C40H80O3 |
|---|---|
| Molecular Weight | 608.61 g/mol |
| LogP | 17.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 38 |
| Exact Mass | 608.6107 |
| Heavy Atoms | 43 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 4151-25-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(CCCCCC)O |
| InChIKey | BPIZTXQQUVZKFT-UHFFFAOYSA-N |
Product Overview
Docosanoic acid, 12-hydroxyoctadecyl ester (CAS 4151-25-1), with molecular formula C40H80O3 and molecular weight 608.61 g/mol. IUPAC: 12-hydroxyoctadecyl docosanoate.
Chemical Property Profile of Docosanoic acid, 12-hydroxyoctadecyl ester
Property Insights of Docosanoic acid, 12-hydroxyoctadecyl ester
The XLogP value of 17.6 indicates that Docosanoic acid, 12-hydroxyoctadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Docosanoic acid, 12-hydroxyoctadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosanoic acid, 12-hydroxyoctadecyl ester has 1 hydrogen bond donor(s) and 3 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, 12-hydroxyoctadecyl ester?
The CAS number of Docosanoic acid, 12-hydroxyoctadecyl ester is 4151-25-1.
What is the molecular formula of Docosanoic acid, 12-hydroxyoctadecyl ester?
The molecular formula of Docosanoic acid, 12-hydroxyoctadecyl ester is C40H80O3.
What is the molecular weight of Docosanoic acid, 12-hydroxyoctadecyl ester?
The molecular weight of Docosanoic acid, 12-hydroxyoctadecyl ester is 608.61 g/mol.
Where can I buy Docosanoic acid, 12-hydroxyoctadecyl ester?
You can request a quote for Docosanoic acid, 12-hydroxyoctadecyl 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, 12-hydroxyoctadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, 12-hydroxyoctadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.