Echinofuran
TL;DR: Echinofuran (CAS 80348-64-7) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate
Also Known As: Echinofuran, (-)-Echinofuran, 2,5-Cyclohexadiene-1,4-dione, 2-(4-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-2-furanyl)-, (1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl acetate, (-)-2-[4-[(S)-1-Acetoxy-4-methyl-3-pentenyl]-2-furanyl]-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 80348-64-7 |
|---|---|
| SMILES | CC(=CC[C@@H](C1=COC(=C1)C2=CC(=O)C=CC2=O)OC(=O)C)C |
| InChIKey | KUMRDPIXRZXXRO-KRWDZBQOSA-N |
Product Overview
Echinofuran (CAS 80348-64-7), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: [(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate.
Chemical Property Profile of Echinofuran
Property Insights of Echinofuran
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Echinofuran. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinofuran. Following Lipinski's Rule of Five, Echinofuran has 0 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 Echinofuran?
The CAS number of Echinofuran is 80348-64-7.
What is the molecular formula of Echinofuran?
The molecular formula of Echinofuran is C18H18O5.
What is the molecular weight of Echinofuran?
The molecular weight of Echinofuran is 314.12 g/mol.
Where can I buy Echinofuran?
You can request a quote for Echinofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinofuran?
Yes, KEHONG BIO provides custom synthesis services for Echinofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.