2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine
TL;DR: 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine (CAS 5417-34-5) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-1-enyl-4,7-dihydro-1,3-dioxepine
Also Known As: 2-prop-1-enyl-4,7-dihydro-1,3-dioxepine, 4,7-Dihydro-2-(1-propen-1-yl)-1,3-dioxepin, 2-(prop-1-en-1-yl)-4,7-dihydro-1,3-dioxepine, 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine, 2-(Prop-1-en-1-yl)-4,7-dihydro-2H-1,3-dioxepine
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 5417-34-5 |
|---|---|
| SMILES | CC=CC1OCC=CCO1 |
| InChIKey | ZEAXFQUUBQPSOZ-UHFFFAOYSA-N |
Product Overview
2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine (CAS 5417-34-5), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2-prop-1-enyl-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine
Property Insights of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Prop-1-enyl-4,7-dihydro-1,3-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-Prop-1-enyl-4,7-dihydro-1,3-dioxepine?
The CAS number of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine is 5417-34-5.
What is the molecular formula of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine?
The molecular formula of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine is C8H12O2.
What is the molecular weight of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine?
The molecular weight of 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine is 140.08 g/mol.
Where can I buy 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine?
You can request a quote for 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Prop-1-enyl-4,7-dihydro-1,3-dioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.