2,6,9-Undecanetrione
TL;DR: 2,6,9-Undecanetrione (CAS 78975-91-4) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecane-2,6,9-trione
Also Known As: 2,6,9-Undecatrione, 2,6,9-Undecanetrione, 2,6,9-Undecantrion, undecane-2,6,9-trione, 2,6,9-Undecanetrione #
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 78975-91-4 |
|---|---|
| SMILES | CCC(=O)CCC(=O)CCCC(=O)C |
| InChIKey | JLEDZGYMXMCQOW-UHFFFAOYSA-N |
Product Overview
2,6,9-Undecanetrione (CAS 78975-91-4), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: undecane-2,6,9-trione.
Chemical Property Profile of 2,6,9-Undecanetrione
Property Insights of 2,6,9-Undecanetrione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,9-Undecanetrione. With a topological polar surface area (TPSA) of 51.2 Ų, 2,6,9-Undecanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,9-Undecanetrione has 0 hydrogen bond donor(s) and 3 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 2,6,9-Undecanetrione?
The CAS number of 2,6,9-Undecanetrione is 78975-91-4.
What is the molecular formula of 2,6,9-Undecanetrione?
The molecular formula of 2,6,9-Undecanetrione is C11H18O3.
What is the molecular weight of 2,6,9-Undecanetrione?
The molecular weight of 2,6,9-Undecanetrione is 198.13 g/mol.
Where can I buy 2,6,9-Undecanetrione?
You can request a quote for 2,6,9-Undecanetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,9-Undecanetrione?
Yes, KEHONG BIO provides custom synthesis services for 2,6,9-Undecanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.