1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
TL;DR: 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- (CAS 53338-05-9) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine
Also Known As: amber dioxepine, AMBERSAGE, 4,7-Dihydro-2-isopentyl-2-methyl-1,3-dioxepin, 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-, 2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 53338-05-9 |
|---|---|
| SMILES | CC(C)CCC1(OCC=CCO1)C |
| InChIKey | FFANAZFONFVGKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- (CAS 53338-05-9), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
Property Insights of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- 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, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-?
The CAS number of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- is 53338-05-9.
What is the molecular formula of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-?
The molecular formula of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- is C11H20O2.
What is the molecular weight of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-?
The molecular weight of 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- is 184.15 g/mol.
Where can I buy 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-?
You can request a quote for 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- 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, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.