1,3-Dihydroxypropan-2-yl docosanoate
TL;DR: 1,3-Dihydroxypropan-2-yl docosanoate (CAS 118605-16-6) is a chemical compound with molecular formula C25H50O4 and molecular weight 414.3709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dihydroxypropan-2-yl docosanoate
Also Known As: monobehenin, 2-behenoylglycerol, Glyceryl behenate, b-monoacylglycerol, 1-Monoacylglycerol
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H50O4 |
| Molecular Weight | 414.3709 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 414.3709 Da |
| Heavy Atoms | 29 |
| Complexity | 329.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| InChIKey | DNULQWTYMFQUHB-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dihydroxypropan-2-yl docosanoate
Property Insights of 1,3-Dihydroxypropan-2-yl docosanoate
The XLogP value of 9.4 indicates that 1,3-Dihydroxypropan-2-yl docosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydroxypropan-2-yl docosanoate. Following Lipinski's Rule of Five, 1,3-Dihydroxypropan-2-yl docosanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Dihydroxypropan-2-yl docosanoate?
The CAS number of 1,3-Dihydroxypropan-2-yl docosanoate is 118605-16-6.
What is the molecular formula of 1,3-Dihydroxypropan-2-yl docosanoate?
The molecular formula of 1,3-Dihydroxypropan-2-yl docosanoate is C25H50O4.
What is the molecular weight of 1,3-Dihydroxypropan-2-yl docosanoate?
The molecular weight of 1,3-Dihydroxypropan-2-yl docosanoate is 414.3709 g/mol.
Where can I buy 1,3-Dihydroxypropan-2-yl docosanoate?
You can request a quote for 1,3-Dihydroxypropan-2-yl docosanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dihydroxypropan-2-yl docosanoate?
Yes, CoreyChem provides custom synthesis services for 1,3-Dihydroxypropan-2-yl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.