![[3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate structure](/static/products/8074/80749-89-9.webp)
[3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate
TL;DR: [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate (CAS 80749-89-9) is a chemical compound with molecular formula C59H86O6 and molecular weight 890.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate
Also Known As: DPBG, 1,3-Dioleoyl-2-(4-pyrenylbutanoyl)glycerol, [3-octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate, 1-Pyrenebutanoic acid,2-[(1-oxo-9-octadecenyl)oxy]-1-[[(1-oxo-9-octadecenyl)oxy]methyl]ethyl ester,(Z,Z)- (9CI)
| Molecular Formula | C59H86O6 |
|---|---|
| Molecular Weight | 890.64 g/mol |
| LogP | 20.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 42 |
| Exact Mass | 890.64246 |
| Heavy Atoms | 65 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 80749-89-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | IGXQQAHHUHIOSW-UHFFFAOYSA-N |
Product Overview
[3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate (CAS 80749-89-9), with molecular formula C59H86O6 and molecular weight 890.64 g/mol. IUPAC: [3-octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate.
Chemical Property Profile of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate
Property Insights of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate
The XLogP value of 20.3 indicates that [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate 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 [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate. Following Lipinski's Rule of Five, [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate 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 [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate?
The CAS number of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate is 80749-89-9.
What is the molecular formula of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate?
The molecular formula of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate is C59H86O6.
What is the molecular weight of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate?
The molecular weight of [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate is 890.64 g/mol.
Where can I buy [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate?
You can request a quote for [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for [3-Octadec-9-enoyloxy-2-(4-pyren-1-ylbutanoyloxy)propyl] octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.