1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-
TL;DR: 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- (CAS 53338-06-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-3-yl-4,7-dihydro-1,3-dioxepine
Also Known As: 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-, 4,7-Dihydro-2-(3-pentyl)-1,3-dioxepin, 2-pentan-3-yl-4,7-dihydro-1,3-dioxepine, 1,3-Dioxepin,2-(1-ethylpropyl)-4,7-dihydro-, 2-(butan-2-yl)-4,7-dihydro-2h-1,3-dioxepine
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 53338-06-0 |
|---|---|
| SMILES | CCC(CC)C1OCC=CCO1 |
| InChIKey | GFMHHNOUDDHEOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- (CAS 53338-06-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-pentan-3-yl-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-
Property Insights of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- 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-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-?
The CAS number of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- is 53338-06-0.
What is the molecular formula of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-?
The molecular formula of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- is C10H18O2.
What is the molecular weight of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-?
The molecular weight of 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- is 170.13 g/mol.
Where can I buy 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-?
You can request a quote for 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxepin, 2-(1-ethylpropyl)-4,7-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.