1,3-Dioxocane
TL;DR: 1,3-Dioxocane (CAS 6572-90-3) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxocane
Also Known As: 1,3-Dioxocane, 1,3-Dioxacyclooctane, 1,3-dioxocan, RefChem:72790, InChI=1/C6H12O2/c1-2-4-7-6-8-5-3-1/h1-6H
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 6572-90-3 |
|---|---|
| SMILES | C1CCOCOCC1 |
| InChIKey | CJSITSBWCLTCAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxocane (CAS 6572-90-3), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 1,3-dioxocane.
Chemical Property Profile of 1,3-Dioxocane
Property Insights of 1,3-Dioxocane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxocane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxocane 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-Dioxocane?
The CAS number of 1,3-Dioxocane is 6572-90-3.
What is the molecular formula of 1,3-Dioxocane?
The molecular formula of 1,3-Dioxocane is C6H12O2.
What is the molecular weight of 1,3-Dioxocane?
The molecular weight of 1,3-Dioxocane is 116.08 g/mol.
Where can I buy 1,3-Dioxocane?
You can request a quote for 1,3-Dioxocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxocane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.