1-Aza-4,6-dioxabicyclo(3.3.0)octane
TL;DR: 1-Aza-4,6-dioxabicyclo(3.3.0)octane (CAS 5780-34-7) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
Also Known As: 1-Aza-4,6-dioxabicyclo(3.3.0)octane, 1-AZA-4,6-DIOXABICYCLO[3.3.0]OCTANE, Tetrahydrooxazolo[2,3-b]oxazole, 7aH-Oxazolo(2,3-b)oxazole, tetrahydro-, tetrahydro-2H-oxazolo[2,3-b]oxazole
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 5780-34-7 |
|---|---|
| SMILES | C1COC2N1CCO2 |
| InChIKey | LTMRLZSHHUFQDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Aza-4,6-dioxabicyclo(3.3.0)octane (CAS 5780-34-7), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole.
Chemical Property Profile of 1-Aza-4,6-dioxabicyclo(3.3.0)octane
Property Insights of 1-Aza-4,6-dioxabicyclo(3.3.0)octane
The XLogP value of -0.2 indicates that 1-Aza-4,6-dioxabicyclo(3.3.0)octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.7 Ų, 1-Aza-4,6-dioxabicyclo(3.3.0)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aza-4,6-dioxabicyclo(3.3.0)octane 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-Aza-4,6-dioxabicyclo(3.3.0)octane?
The CAS number of 1-Aza-4,6-dioxabicyclo(3.3.0)octane is 5780-34-7.
What is the molecular formula of 1-Aza-4,6-dioxabicyclo(3.3.0)octane?
The molecular formula of 1-Aza-4,6-dioxabicyclo(3.3.0)octane is C5H9NO2.
What is the molecular weight of 1-Aza-4,6-dioxabicyclo(3.3.0)octane?
The molecular weight of 1-Aza-4,6-dioxabicyclo(3.3.0)octane is 115.06 g/mol.
Where can I buy 1-Aza-4,6-dioxabicyclo(3.3.0)octane?
You can request a quote for 1-Aza-4,6-dioxabicyclo(3.3.0)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aza-4,6-dioxabicyclo(3.3.0)octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Aza-4,6-dioxabicyclo(3.3.0)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.