1,4,7-Trioxonine
TL;DR: 1,4,7-Trioxonine (CAS 40369-62-8) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trioxonine
Also Known As: 1,4,7-Trioxonin
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 40369-62-8 |
|---|---|
| SMILES | C1=COC=COC=CO1 |
| InChIKey | GQNOFMQXNNZQRY-UHFFFAOYSA-N |
Product Overview
1,4,7-Trioxonine (CAS 40369-62-8), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 1,4,7-trioxonine.
Chemical Property Profile of 1,4,7-Trioxonine
Property Insights of 1,4,7-Trioxonine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7-Trioxonine. With a topological polar surface area (TPSA) of 27.7 Ų, 1,4,7-Trioxonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-Trioxonine 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 1,4,7-Trioxonine?
The CAS number of 1,4,7-Trioxonine is 40369-62-8.
What is the molecular formula of 1,4,7-Trioxonine?
The molecular formula of 1,4,7-Trioxonine is C6H6O3.
What is the molecular weight of 1,4,7-Trioxonine?
The molecular weight of 1,4,7-Trioxonine is 126.03 g/mol.
Where can I buy 1,4,7-Trioxonine?
You can request a quote for 1,4,7-Trioxonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-Trioxonine?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trioxonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.