1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
TL;DR: 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione (CAS 60831-46-1) is a chemical compound with molecular formula C19H16O6 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione
Also Known As: bisdemethylcurcumin, Didemethyl Curcumin, 1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione, 1,6-Heptadiene-3,5-dione, 1,7-bis(3,4-dihydroxyphenyl)-, (E,E)-, 1,7-bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
| Molecular Formula | C19H16O6 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0947 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 60831-46-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| InChIKey | OJFGQVZAISEIPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione (CAS 60831-46-1), with molecular formula C19H16O6 and molecular weight 340.09 g/mol. IUPAC: 1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione.
Chemical Property Profile of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
Property Insights of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione. Following Lipinski's Rule of Five, 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione has 4 hydrogen bond donor(s) and 6 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 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione?
The CAS number of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione is 60831-46-1.
What is the molecular formula of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione?
The molecular formula of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione is C19H16O6.
What is the molecular weight of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione?
The molecular weight of 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione is 340.09 g/mol.
Where can I buy 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione?
You can request a quote for 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.