2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)
TL;DR: 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) (CAS 65812-73-9) is a chemical compound with molecular formula C25H20N6O4 and molecular weight 468.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
Also Known As: 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E), 6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-(1,2,4)triazolo(1,2-a)cinnoline-1,3(2H)-dione, 6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione, 6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phe, 6-(3,5-Dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
| Molecular Formula | C25H20N6O4 |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.1546 |
| Heavy Atoms | 35 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 65812-73-9 |
|---|---|
| SMILES | CC1(CN2C(=O)N(C(=O)N2C3=CC=CC=C31)C4=CC=CC=C4)N5C(=O)N(C(=O)N5)C6=CC=CC=C6 |
| InChIKey | CVCBYOOQZZRRBL-UHFFFAOYSA-N |
Product Overview
2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) (CAS 65812-73-9), with molecular formula C25H20N6O4 and molecular weight 468.15 g/mol. IUPAC: 6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione.
Chemical Property Profile of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)
Property Insights of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)
The XLogP value of 3.1 indicates that 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E). Following Lipinski's Rule of Five, 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) has 1 hydrogen bond donor(s) and 4 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 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)?
The CAS number of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) is 65812-73-9.
What is the molecular formula of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)?
The molecular formula of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) is C25H20N6O4.
What is the molecular weight of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)?
The molecular weight of 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) is 468.15 g/mol.
Where can I buy 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)?
You can request a quote for 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E)?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Octadienoic acid,8-hydroxy-3,7-dimethyl-,(E,E) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.