Alpha-stearoyl stearic acid, methyl ester
TL;DR: Alpha-stearoyl stearic acid, methyl ester (CAS 10126-69-9) is a chemical compound with molecular formula C37H72O3 and molecular weight 564.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hexadecyl-3-oxoicosanoate
Also Known As: methyl 2-hexadecyl-3-oxoicosanoate, Alpha-stearoyl stearic acid, methyl ester, 2-Hexadecyl-3-oxo-icosanoic acid methyl ester, 2-hexadecyl-3-oxo-eicosanoic acid methyl ester
| Molecular Formula | C37H72O3 |
|---|---|
| Molecular Weight | 564.55 g/mol |
| LogP | 16.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 34 |
| Exact Mass | 564.54816 |
| Heavy Atoms | 40 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 10126-69-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)C(=O)OC |
| InChIKey | QSOSUDRRPSNGFF-UHFFFAOYSA-N |
Product Overview
Alpha-stearoyl stearic acid, methyl ester (CAS 10126-69-9), with molecular formula C37H72O3 and molecular weight 564.55 g/mol. IUPAC: methyl 2-hexadecyl-3-oxoicosanoate.
Chemical Property Profile of Alpha-stearoyl stearic acid, methyl ester
Property Insights of Alpha-stearoyl stearic acid, methyl ester
The XLogP value of 16.9 indicates that Alpha-stearoyl stearic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Alpha-stearoyl stearic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-stearoyl stearic acid, methyl ester has 0 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 Alpha-stearoyl stearic acid, methyl ester?
The CAS number of Alpha-stearoyl stearic acid, methyl ester is 10126-69-9.
What is the molecular formula of Alpha-stearoyl stearic acid, methyl ester?
The molecular formula of Alpha-stearoyl stearic acid, methyl ester is C37H72O3.
What is the molecular weight of Alpha-stearoyl stearic acid, methyl ester?
The molecular weight of Alpha-stearoyl stearic acid, methyl ester is 564.55 g/mol.
Where can I buy Alpha-stearoyl stearic acid, methyl ester?
You can request a quote for Alpha-stearoyl stearic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-stearoyl stearic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alpha-stearoyl stearic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.