1,3,6-Trioxocane
TL;DR: 1,3,6-Trioxocane (CAS 1779-19-7) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6-trioxocane
Also Known As: 1,3,6-TRIOXOCANE, 1,3,6-Trioxacyclooctane, Diethylene glycol formal, Diglycol formal, 1,3,6-trioxocan
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 1779-19-7 |
|---|---|
| SMILES | C1COCOCCO1 |
| InChIKey | AUAGGMPIKOZAJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,6-Trioxocane (CAS 1779-19-7), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: 1,3,6-trioxocane.
Chemical Property Profile of 1,3,6-Trioxocane
Property Insights of 1,3,6-Trioxocane
The XLogP value of -0.5 indicates that 1,3,6-Trioxocane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3,6-Trioxocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,6-Trioxocane 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 1,3,6-Trioxocane?
The CAS number of 1,3,6-Trioxocane is 1779-19-7.
What is the molecular formula of 1,3,6-Trioxocane?
The molecular formula of 1,3,6-Trioxocane is C5H10O3.
What is the molecular weight of 1,3,6-Trioxocane?
The molecular weight of 1,3,6-Trioxocane is 118.06 g/mol.
Where can I buy 1,3,6-Trioxocane?
You can request a quote for 1,3,6-Trioxocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-Trioxocane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Trioxocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.