1,3-Dioxepin, 2-hexyl-4,7-dihydro-
TL;DR: 1,3-Dioxepin, 2-hexyl-4,7-dihydro- (CAS 61732-96-5) 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-hexyl-4,7-dihydro-1,3-dioxepine
Also Known As: 2-Hexyl-4,7-dihydro-1,3-dioxepin, 1,3-Dioxepin, 2-hexyl-4,7-dihydro-, 2-hexyl-4,7-dihydro-1,3-dioxepine, Heptanal, butene-1,4-glycol acetal, heptanal butene-1,4-glycol acetal
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 61732-96-5 |
|---|---|
| SMILES | CCCCCCC1OCC=CCO1 |
| InChIKey | BKMHRWAUFCKQFT-UHFFFAOYSA-N |
Product Overview
1,3-Dioxepin, 2-hexyl-4,7-dihydro- (CAS 61732-96-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2-hexyl-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 1,3-Dioxepin, 2-hexyl-4,7-dihydro-
Property Insights of 1,3-Dioxepin, 2-hexyl-4,7-dihydro-
The XLogP value of 3.2 indicates that 1,3-Dioxepin, 2-hexyl-4,7-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxepin, 2-hexyl-4,7-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxepin, 2-hexyl-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-hexyl-4,7-dihydro-?
The CAS number of 1,3-Dioxepin, 2-hexyl-4,7-dihydro- is 61732-96-5.
What is the molecular formula of 1,3-Dioxepin, 2-hexyl-4,7-dihydro-?
The molecular formula of 1,3-Dioxepin, 2-hexyl-4,7-dihydro- is C11H20O2.
What is the molecular weight of 1,3-Dioxepin, 2-hexyl-4,7-dihydro-?
The molecular weight of 1,3-Dioxepin, 2-hexyl-4,7-dihydro- is 184.15 g/mol.
Where can I buy 1,3-Dioxepin, 2-hexyl-4,7-dihydro-?
You can request a quote for 1,3-Dioxepin, 2-hexyl-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-hexyl-4,7-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxepin, 2-hexyl-4,7-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.