2,5,8-Trioxanonane-3,4,6,7-tetrone
TL;DR: 2,5,8-Trioxanonane-3,4,6,7-tetrone (CAS 5781-55-5) is a chemical compound with molecular formula C6H6O7 and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-methoxy-2-oxoacetyl) 1-O-methyl oxalate
Also Known As: methoxalic anhydride, methoxy(oxo)acetic anhydride, 2,5,8-Trioxanonane-3,4,6,7-tetrone, 2-Ethoxy-2-oxoacetic anhydride, 2-Methoxy-2-Oxoacetic Anhydride
| Molecular Formula | C6H6O7 |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.01135 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5781-55-5 |
|---|---|
| SMILES | COC(=O)C(=O)OC(=O)C(=O)OC |
| InChIKey | JKFKZGGSAYSSBN-UHFFFAOYSA-N |
Product Overview
2,5,8-Trioxanonane-3,4,6,7-tetrone (CAS 5781-55-5), with molecular formula C6H6O7 and molecular weight 190.01 g/mol. IUPAC: 2-O-(2-methoxy-2-oxoacetyl) 1-O-methyl oxalate.
Chemical Property Profile of 2,5,8-Trioxanonane-3,4,6,7-tetrone
Property Insights of 2,5,8-Trioxanonane-3,4,6,7-tetrone
The XLogP value of -0.1 indicates that 2,5,8-Trioxanonane-3,4,6,7-tetrone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5,8-Trioxanonane-3,4,6,7-tetrone. Following Lipinski's Rule of Five, 2,5,8-Trioxanonane-3,4,6,7-tetrone has 0 hydrogen bond donor(s) and 7 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 2,5,8-Trioxanonane-3,4,6,7-tetrone?
The CAS number of 2,5,8-Trioxanonane-3,4,6,7-tetrone is 5781-55-5.
What is the molecular formula of 2,5,8-Trioxanonane-3,4,6,7-tetrone?
The molecular formula of 2,5,8-Trioxanonane-3,4,6,7-tetrone is C6H6O7.
What is the molecular weight of 2,5,8-Trioxanonane-3,4,6,7-tetrone?
The molecular weight of 2,5,8-Trioxanonane-3,4,6,7-tetrone is 190.01 g/mol.
Where can I buy 2,5,8-Trioxanonane-3,4,6,7-tetrone?
You can request a quote for 2,5,8-Trioxanonane-3,4,6,7-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,8-Trioxanonane-3,4,6,7-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2,5,8-Trioxanonane-3,4,6,7-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.