4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione
TL;DR: 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione (CAS 84878-53-5) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethylhepta-1,5-dienyl)heptane-2,6-dione
Also Known As: 4-(2,6-Dimethylhepta-1,5-dienyl)heptane-2,6-dione, 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione, 4-(2,6-DIMETHYLHEPTA-1,5-DIEN-1-YL)HEPTANE-2,6-DIONE, RefChem:286948
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.2535 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 328.10846 |
Chemical Identifiers
| CAS Number | 84878-53-5 |
|---|---|
| SMILES | CC(=CCCC(=CC(CC(=O)C)CC(=O)C)C)C |
Product Overview
4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione (CAS 84878-53-5), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: 4-(2,6-dimethylhepta-1,5-dienyl)heptane-2,6-dione.
Chemical Property Profile of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione
Property Insights of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione
The XLogP value of 4.2535 indicates that 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione has 0 hydrogen bond donor(s) and 2 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 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione?
The CAS number of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione is 84878-53-5.
What is the molecular formula of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione?
The molecular formula of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione is C16H26O2.
What is the molecular weight of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione?
The molecular weight of 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione is 250.19 g/mol.
Where can I buy 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione?
You can request a quote for 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dimethyl-1,5-heptadien-1-yl)-2,6-heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.