2,2,5,7-Tetramethylocta-4,6-dien-3-one
TL;DR: 2,2,5,7-Tetramethylocta-4,6-dien-3-one (CAS 19377-97-0) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5,7-tetramethylocta-4,6-dien-3-one
Also Known As: (4E)-2,2,5,7-tetramethylocta-4,6-dien-3-one
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 19377-97-0 |
|---|---|
| SMILES | CC(=CC(=CC(=O)C(C)(C)C)C)C |
| InChIKey | PLHSXZSVEGYRDW-UHFFFAOYSA-N |
Product Overview
2,2,5,7-Tetramethylocta-4,6-dien-3-one (CAS 19377-97-0), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 2,2,5,7-tetramethylocta-4,6-dien-3-one.
Chemical Property Profile of 2,2,5,7-Tetramethylocta-4,6-dien-3-one
Property Insights of 2,2,5,7-Tetramethylocta-4,6-dien-3-one
The XLogP value of 4.1 indicates that 2,2,5,7-Tetramethylocta-4,6-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,5,7-Tetramethylocta-4,6-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5,7-Tetramethylocta-4,6-dien-3-one has 0 hydrogen bond donor(s) and 1 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 2,2,5,7-Tetramethylocta-4,6-dien-3-one?
The CAS number of 2,2,5,7-Tetramethylocta-4,6-dien-3-one is 19377-97-0.
What is the molecular formula of 2,2,5,7-Tetramethylocta-4,6-dien-3-one?
The molecular formula of 2,2,5,7-Tetramethylocta-4,6-dien-3-one is C12H20O.
What is the molecular weight of 2,2,5,7-Tetramethylocta-4,6-dien-3-one?
The molecular weight of 2,2,5,7-Tetramethylocta-4,6-dien-3-one is 180.15 g/mol.
Where can I buy 2,2,5,7-Tetramethylocta-4,6-dien-3-one?
You can request a quote for 2,2,5,7-Tetramethylocta-4,6-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5,7-Tetramethylocta-4,6-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5,7-Tetramethylocta-4,6-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.