1,3-Diaceto-2-stearin
TL;DR: 1,3-Diaceto-2-stearin (CAS 55401-62-2) is a chemical compound with molecular formula C25H46O6 and molecular weight 442.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diacetyloxypropan-2-yl octadecanoate
Also Known As: 1,3-Diaceto-2-stearin, Stearin, 1,3-diaceto-2-, 1,3-diacetyl-2-stearoylglycerol, Glycerol, 2-octadecanoate, diacetate, 1,3-diacetyloxypropan-2-yl octadecanoate
| Molecular Formula | C25H46O6 |
|---|---|
| Molecular Weight | 442.33 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 442.32944 |
| Heavy Atoms | 31 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 55401-62-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C |
| InChIKey | FLZMENQJJSKDLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diaceto-2-stearin (CAS 55401-62-2), with molecular formula C25H46O6 and molecular weight 442.33 g/mol. IUPAC: 1,3-diacetyloxypropan-2-yl octadecanoate.
Chemical Property Profile of 1,3-Diaceto-2-stearin
Property Insights of 1,3-Diaceto-2-stearin
The XLogP value of 8.4 indicates that 1,3-Diaceto-2-stearin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diaceto-2-stearin. Following Lipinski's Rule of Five, 1,3-Diaceto-2-stearin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diaceto-2-stearin?
The CAS number of 1,3-Diaceto-2-stearin is 55401-62-2.
What is the molecular formula of 1,3-Diaceto-2-stearin?
The molecular formula of 1,3-Diaceto-2-stearin is C25H46O6.
What is the molecular weight of 1,3-Diaceto-2-stearin?
The molecular weight of 1,3-Diaceto-2-stearin is 442.33 g/mol.
Where can I buy 1,3-Diaceto-2-stearin?
You can request a quote for 1,3-Diaceto-2-stearin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diaceto-2-stearin?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diaceto-2-stearin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.