4,6-Dimethyl-1,4,6-oxadiazocan-5-one
TL;DR: 4,6-Dimethyl-1,4,6-oxadiazocan-5-one (CAS 83540-63-0) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,4,6-oxadiazocan-5-one
Also Known As: 4,6-dimethyl-1,4,6-oxadiazocan-5-one, 2H-1,4,6-Oxadiazocin-5(6H)-one, tetrahydro-4,6-dimethyl-
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 0.0002 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 135.376 |
Chemical Identifiers
| CAS Number | 83540-63-0 |
|---|---|
| SMILES | CN1CCOCCN(C1=O)C |
Product Overview
4,6-Dimethyl-1,4,6-oxadiazocan-5-one (CAS 83540-63-0), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: 4,6-dimethyl-1,4,6-oxadiazocan-5-one.
Chemical Property Profile of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one
Property Insights of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one
The XLogP value of 0.0002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-1,4,6-oxadiazocan-5-one. With a topological polar surface area (TPSA) of 32.78 Ų, 4,6-Dimethyl-1,4,6-oxadiazocan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-1,4,6-oxadiazocan-5-one 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 4,6-Dimethyl-1,4,6-oxadiazocan-5-one?
The CAS number of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one is 83540-63-0.
What is the molecular formula of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one?
The molecular formula of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one is C7H14N2O2.
What is the molecular weight of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one?
The molecular weight of 4,6-Dimethyl-1,4,6-oxadiazocan-5-one is 158.11 g/mol.
Where can I buy 4,6-Dimethyl-1,4,6-oxadiazocan-5-one?
You can request a quote for 4,6-Dimethyl-1,4,6-oxadiazocan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-1,4,6-oxadiazocan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-1,4,6-oxadiazocan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.