5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
TL;DR: 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one (CAS 15265-28-8) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Also Known As: Palitantin, NCI60_001968, 5-hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one, Cyclohexanone, 3-(1,3-heptadienyl)-5,6-dihydroxy-2-(hydroxymethyl)-, (E,E)-, (2R,3S,5R,6R)-rel-3-(1E,3E)-1,3-Heptadienyl-5,6-dihydroxy-2-(hydroxymethyl)cyclohexanone
Technical Specifications
| Molecular Formula | C14H22O4 |
| Molecular Weight | 254.15181 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.15181 Da |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
| SMILES | CCCC=CC=CC1CC(C(C(=O)C1CO)O)O |
| InChIKey | MPOXQBRZHHNMER-UHFFFAOYSA-N |
Chemical Property Profile of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Property Insights of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one. Following Lipinski's Rule of Five, 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one?
The CAS number of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one is 15265-28-8.
What is the molecular formula of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one?
The molecular formula of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one is C14H22O4.
What is the molecular weight of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one?
The molecular weight of 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one is 254.15181 g/mol.
Where can I buy 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one?
You can request a quote for 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one?
Yes, CoreyChem provides custom synthesis services for 5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.