1,3,5-Trioxepane
TL;DR: 1,3,5-Trioxepane (CAS 5981-06-6) is a chemical compound with molecular formula C4H8O3 and molecular weight 104.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trioxepane
Also Known As: 1,3,5-Trioxepane, 1,5-Trioxepane, 1,3,5-trioxepan, 1,3,5-TRIOXACYCLOHEPTANE, 1,5-Trioxacycloheptane
| Molecular Formula | C4H8O3 |
|---|---|
| Molecular Weight | 104.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.04734 |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 5981-06-6 |
|---|---|
| SMILES | C1COCOCO1 |
| InChIKey | ULAGGPJVDRGWTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trioxepane (CAS 5981-06-6), with molecular formula C4H8O3 and molecular weight 104.05 g/mol. IUPAC: 1,3,5-trioxepane.
Chemical Property Profile of 1,3,5-Trioxepane
Property Insights of 1,3,5-Trioxepane
The XLogP value of -0.4 indicates that 1,3,5-Trioxepane 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, 1,3,5-Trioxepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trioxepane 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 1,3,5-Trioxepane?
The CAS number of 1,3,5-Trioxepane is 5981-06-6.
What is the molecular formula of 1,3,5-Trioxepane?
The molecular formula of 1,3,5-Trioxepane is C4H8O3.
What is the molecular weight of 1,3,5-Trioxepane?
The molecular weight of 1,3,5-Trioxepane is 104.05 g/mol.
Where can I buy 1,3,5-Trioxepane?
You can request a quote for 1,3,5-Trioxepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trioxepane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trioxepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.