(1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione
TL;DR: (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione (CAS 160096-60-6) is a chemical compound with molecular formula C21H16O6 and molecular weight 364.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione
Also Known As: (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione, 1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione, 1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione, (1E,6E)-1,7-bis(2H-1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione, (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione
Technical Specifications
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.0947 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0947 Da |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
| SMILES | C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC4=C(OCO4)C=C3 |
| InChIKey | RAKTYHYXXBELPJ-IJIVKGSJSA-N |
Chemical Property Profile of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione
Property Insights of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione
The XLogP value of 3.6 indicates that (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione. Following Lipinski's Rule of Five, (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione?
The CAS number of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione is 160096-60-6.
What is the molecular formula of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione?
The molecular formula of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione is C21H16O6.
What is the molecular weight of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione?
The molecular weight of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione is 364.0947 g/mol.
Where can I buy (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione?
You can request a quote for (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione?
Yes, CoreyChem provides custom synthesis services for (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.