2,3-Dihydro-5H-1,4-dioxepine
TL;DR: 2,3-Dihydro-5H-1,4-dioxepine (CAS 4040-81-7) 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.
3,5-dihydro-2H-1,4-dioxepine
Also Known As: 2,3-Dihydro-5H-1,4-dioxepine, 3,5-dihydro-2H-1,4-dioxepine, 5H-1,4-Dioxepin, 2,3-dihydro-, 2,3-Dihydro-5H-1,4-dioxepin, 2,3-Dihydro-5H-1,4-dioxepine #
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.2 |
| 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 | 68.0 |
Chemical Identifiers
| CAS Number | 4040-81-7 |
|---|---|
| SMILES | C1COC=CCO1 |
| InChIKey | AXJZXZDPYXAJHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-5H-1,4-dioxepine (CAS 4040-81-7), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 3,5-dihydro-2H-1,4-dioxepine.
Chemical Property Profile of 2,3-Dihydro-5H-1,4-dioxepine
Property Insights of 2,3-Dihydro-5H-1,4-dioxepine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-5H-1,4-dioxepine. With a topological polar surface area (TPSA) of 18.5 Ų, 2,3-Dihydro-5H-1,4-dioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-5H-1,4-dioxepine 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 2,3-Dihydro-5H-1,4-dioxepine?
The CAS number of 2,3-Dihydro-5H-1,4-dioxepine is 4040-81-7.
What is the molecular formula of 2,3-Dihydro-5H-1,4-dioxepine?
The molecular formula of 2,3-Dihydro-5H-1,4-dioxepine is C5H8O2.
What is the molecular weight of 2,3-Dihydro-5H-1,4-dioxepine?
The molecular weight of 2,3-Dihydro-5H-1,4-dioxepine is 100.05 g/mol.
Where can I buy 2,3-Dihydro-5H-1,4-dioxepine?
You can request a quote for 2,3-Dihydro-5H-1,4-dioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-5H-1,4-dioxepine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-5H-1,4-dioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.