1,2-Dioxepane
TL;DR: 1,2-Dioxepane (CAS 505-63-5) is a chemical compound with molecular formula C1CCOOCC1 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioxepane
Also Known As: 1,2-Dioxepane, dioxepane, 3H-1,2-Dioxepin,tetrahydro, 3H-1,2-Dioxepin, tetrahydro-, 142212-EP2270010A1
| Molecular Formula | C1CCOOCC1 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 505-63-5 |
|---|---|
| SMILES | C1CCOOCC1 |
| InChIKey | HGGNZMUHOHGHBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dioxepane (CAS 505-63-5), with molecular formula C1CCOOCC1 and molecular weight 102.07 g/mol. IUPAC: dioxepane.
Chemical Property Profile of 1,2-Dioxepane
Property Insights of 1,2-Dioxepane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dioxepane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2-Dioxepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dioxepane has 0 hydrogen bond donor(s) and 2 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 1,2-Dioxepane?
The CAS number of 1,2-Dioxepane is 505-63-5.
What is the molecular formula of 1,2-Dioxepane?
The molecular formula of 1,2-Dioxepane is C1CCOOCC1.
What is the molecular weight of 1,2-Dioxepane?
The molecular weight of 1,2-Dioxepane is 102.07 g/mol.
Where can I buy 1,2-Dioxepane?
You can request a quote for 1,2-Dioxepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dioxepane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dioxepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.