1,3-Dioxepane
TL;DR: 1,3-Dioxepane (CAS 505-65-7) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxepane
Also Known As: 1,3-Dioxepane, Tetramethylene formal, 1,3-Dioxepan, 1,3-Dioxacycloheptane, 1,4-Butanediol formal
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 0.4 |
| 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 | 505-65-7 |
|---|---|
| SMILES | C1CCOCOC1 |
| InChIKey | CZLMRJZAHXYRIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxepane (CAS 505-65-7), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 1,3-dioxepane.
Chemical Property Profile of 1,3-Dioxepane
Property Insights of 1,3-Dioxepane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxepane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-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 1,3-Dioxepane?
The CAS number of 1,3-Dioxepane is 505-65-7.
What is the molecular formula of 1,3-Dioxepane?
The molecular formula of 1,3-Dioxepane is C5H10O2.
What is the molecular weight of 1,3-Dioxepane?
The molecular weight of 1,3-Dioxepane is 102.07 g/mol.
Where can I buy 1,3-Dioxepane?
You can request a quote for 1,3-Dioxepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxepane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.