Methyl 2-hexadecyl-3-hydroxyicosanoate
TL;DR: Methyl 2-hexadecyl-3-hydroxyicosanoate (CAS 94071-23-5) is a chemical compound with molecular formula C37H74O3 and molecular weight 566.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hexadecyl-3-hydroxyicosanoate
Also Known As: Methyl 2-hexadecyl-3-hydroxyicosanoate, EINECS 301-824-6, methyl2-hexadecyl-3-hydroxyicosanoate, 2-Hexadecyl-3-hydroxyicosanoic acid methyl ester, (+-)-threo-2-Hexadecyl-3-hydroxy-eicosansaeure-methylester
| Molecular Formula | C37H74O3 |
|---|---|
| Molecular Weight | 566.56 g/mol |
| LogP | 12.2694 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 33 |
| Exact Mass | 566.5638 |
| Heavy Atoms | 40 |
| Complexity | 491.80243 |
Chemical Identifiers
| CAS Number | 94071-23-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC)C(=O)OC)O |
Product Overview
Methyl 2-hexadecyl-3-hydroxyicosanoate (CAS 94071-23-5), with molecular formula C37H74O3 and molecular weight 566.56 g/mol. IUPAC: methyl 2-hexadecyl-3-hydroxyicosanoate.
Chemical Property Profile of Methyl 2-hexadecyl-3-hydroxyicosanoate
Property Insights of Methyl 2-hexadecyl-3-hydroxyicosanoate
The XLogP value of 12.2694 indicates that Methyl 2-hexadecyl-3-hydroxyicosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 2-hexadecyl-3-hydroxyicosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexadecyl-3-hydroxyicosanoate 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 Methyl 2-hexadecyl-3-hydroxyicosanoate?
The CAS number of Methyl 2-hexadecyl-3-hydroxyicosanoate is 94071-23-5.
What is the molecular formula of Methyl 2-hexadecyl-3-hydroxyicosanoate?
The molecular formula of Methyl 2-hexadecyl-3-hydroxyicosanoate is C37H74O3.
What is the molecular weight of Methyl 2-hexadecyl-3-hydroxyicosanoate?
The molecular weight of Methyl 2-hexadecyl-3-hydroxyicosanoate is 566.56 g/mol.
Where can I buy Methyl 2-hexadecyl-3-hydroxyicosanoate?
You can request a quote for Methyl 2-hexadecyl-3-hydroxyicosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexadecyl-3-hydroxyicosanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexadecyl-3-hydroxyicosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.