cis-4,7-Dihydro-1,3-dioxepin
TL;DR: cis-4,7-Dihydro-1,3-dioxepin (CAS 5417-32-3) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydro-1,3-dioxepine
Also Known As: 4,7-Dihydro-1,3-dioxepine, cis-4,7-Dihydro-1,3-dioxepin, 4,7-Dihydro-1,3-dioxepin, 1,3-Dioxep-5-ene, 4,3-dioxepin
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 5417-32-3 |
|---|---|
| SMILES | C1C=CCOCO1 |
| InChIKey | BAKUAUDFCNFLBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-4,7-Dihydro-1,3-dioxepin (CAS 5417-32-3), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of cis-4,7-Dihydro-1,3-dioxepin
Property Insights of cis-4,7-Dihydro-1,3-dioxepin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-4,7-Dihydro-1,3-dioxepin. With a topological polar surface area (TPSA) of 18.5 Ų, cis-4,7-Dihydro-1,3-dioxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-4,7-Dihydro-1,3-dioxepin 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 cis-4,7-Dihydro-1,3-dioxepin?
The CAS number of cis-4,7-Dihydro-1,3-dioxepin is 5417-32-3.
What is the molecular formula of cis-4,7-Dihydro-1,3-dioxepin?
The molecular formula of cis-4,7-Dihydro-1,3-dioxepin is C5H8O2.
What is the molecular weight of cis-4,7-Dihydro-1,3-dioxepin?
The molecular weight of cis-4,7-Dihydro-1,3-dioxepin is 100.05 g/mol.
Where can I buy cis-4,7-Dihydro-1,3-dioxepin?
You can request a quote for cis-4,7-Dihydro-1,3-dioxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-4,7-Dihydro-1,3-dioxepin?
Yes, KEHONG BIO provides custom synthesis services for cis-4,7-Dihydro-1,3-dioxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.