Propylene Glycol Diundecanoate
TL;DR: Propylene Glycol Diundecanoate (CAS 68227-47-4) is a chemical compound with molecular formula C25H48O4 and molecular weight 412.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-undecanoyloxypropyl undecanoate
Also Known As: Propylene glycol diundecanoate, Isopropylene undecanoate, 2-undecanoyloxypropyl undecanoate, Propane-1,2-diyl diundecanoate, Undecanoic acid, propylene glycol diester
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 68227-47-4 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCC |
| InChIKey | KRQMPRFXIVBULR-UHFFFAOYSA-N |
Product Overview
Propylene Glycol Diundecanoate (CAS 68227-47-4), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: 2-undecanoyloxypropyl undecanoate.
Chemical Property Profile of Propylene Glycol Diundecanoate
Property Insights of Propylene Glycol Diundecanoate
The XLogP value of 9.7 indicates that Propylene Glycol Diundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propylene Glycol Diundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene Glycol Diundecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propylene Glycol Diundecanoate?
The CAS number of Propylene Glycol Diundecanoate is 68227-47-4.
What is the molecular formula of Propylene Glycol Diundecanoate?
The molecular formula of Propylene Glycol Diundecanoate is C25H48O4.
What is the molecular weight of Propylene Glycol Diundecanoate?
The molecular weight of Propylene Glycol Diundecanoate is 412.36 g/mol.
Where can I buy Propylene Glycol Diundecanoate?
You can request a quote for Propylene Glycol Diundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene Glycol Diundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Propylene Glycol Diundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.