![2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal structure](/static/products/8038/80388-50-7.webp)
2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal
TL;DR: 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal (CAS 80388-50-7) is a chemical compound with molecular formula C25H36O5 and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-hydroxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal
Also Known As: 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal, (E,2E)-2-[3-hydroxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal, 2-[3-(2,5-Dihydro-2-hydroxy-5-oxo-3-furanyl)-3-hydroxypropylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octenal, 2-[3-hydroxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 80388-50-7 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCC(C2=CC(=O)OC2O)O)C=O)C |
| InChIKey | KESXQHZIRZKRKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal (CAS 80388-50-7), with molecular formula C25H36O5 and molecular weight 416.26 g/mol. IUPAC: 2-[3-hydroxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal.
Chemical Property Profile of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal
Property Insights of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal
The XLogP value of 4.1 indicates that 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal. Following Lipinski's Rule of Five, 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal?
The CAS number of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal is 80388-50-7.
What is the molecular formula of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal?
The molecular formula of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal is C25H36O5.
What is the molecular weight of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal?
The molecular weight of 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal is 416.26 g/mol.
Where can I buy 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal?
You can request a quote for 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[-3-yl]-3-hydroxypropylidene]-6-methyl-8-5-octenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.