5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one
TL;DR: 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one (CAS 378222-13-0) is a chemical compound with molecular formula C17H22N2O and molecular weight 270.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: ChemDiv1_024104, BAS 03026415, 5,7-dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one, (1R,3S,5r,7r)-5,7-dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one, 5,7-Dimethyl-2-o-tolyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
| Molecular Formula | C17H22N2O |
|---|---|
| Molecular Weight | 270.17 g/mol |
| LogP | 2.22012 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.17322 |
| Heavy Atoms | 20 |
| Complexity | 554.4077 |
Chemical Identifiers
| CAS Number | 378222-13-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2N3CC4(CN2CC(C3)(C4=O)C)C |
Product Overview
5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one (CAS 378222-13-0), with molecular formula C17H22N2O and molecular weight 270.17 g/mol. IUPAC: 5,7-dimethyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one
Property Insights of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one
The XLogP value of 2.22012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one. With a topological polar surface area (TPSA) of 23.55 Ų, 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one has 0 hydrogen bond donor(s) and 3 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 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one?
The CAS number of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one is 378222-13-0.
What is the molecular formula of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one?
The molecular formula of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one is C17H22N2O.
What is the molecular weight of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one?
The molecular weight of 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one is 270.17 g/mol.
Where can I buy 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one?
You can request a quote for 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2-(o-tolyl)-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.