Propane-1,3-diyl dioctadec-9-enoate
TL;DR: Propane-1,3-diyl dioctadec-9-enoate (CAS 26571-49-3) is a chemical compound with molecular formula C39H72O4 and molecular weight 604.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadec-9-enoyloxypropyl octadec-9-enoate
Also Known As: Propane-1,3-diyl dioctadec-9-enoate, 9-Octadecenoic acid (9Z)-, 1,3-propanediyl ester, 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate, A-[(9Z)-1-Oxo-9-octadecen-1-yl]-, O-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-poly[oxy(methyl-1,2-ethanediyl)]
| Molecular Formula | C39H72O4 |
|---|---|
| Molecular Weight | 604.54 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 36 |
| Exact Mass | 604.5431 |
| Heavy Atoms | 43 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 26571-49-3 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | DAGUWHQPUZIHIC-UHFFFAOYSA-N |
Product Overview
Propane-1,3-diyl dioctadec-9-enoate (CAS 26571-49-3), with molecular formula C39H72O4 and molecular weight 604.54 g/mol. IUPAC: 3-octadec-9-enoyloxypropyl octadec-9-enoate.
Chemical Property Profile of Propane-1,3-diyl dioctadec-9-enoate
Property Insights of Propane-1,3-diyl dioctadec-9-enoate
The XLogP value of 15.3 indicates that Propane-1,3-diyl dioctadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propane-1,3-diyl dioctadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane-1,3-diyl dioctadec-9-enoate 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 Propane-1,3-diyl dioctadec-9-enoate?
The CAS number of Propane-1,3-diyl dioctadec-9-enoate is 26571-49-3.
What is the molecular formula of Propane-1,3-diyl dioctadec-9-enoate?
The molecular formula of Propane-1,3-diyl dioctadec-9-enoate is C39H72O4.
What is the molecular weight of Propane-1,3-diyl dioctadec-9-enoate?
The molecular weight of Propane-1,3-diyl dioctadec-9-enoate is 604.54 g/mol.
Where can I buy Propane-1,3-diyl dioctadec-9-enoate?
You can request a quote for Propane-1,3-diyl dioctadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,3-diyl dioctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,3-diyl dioctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.