1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-
TL;DR: 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- (CAS 108790-63-2) is a chemical compound with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: ChemDiv1_021323, BAS 00334670, 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-, AE-848/06133044, 2-(4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
| Molecular Formula | C17H22N2O2 |
|---|---|
| Molecular Weight | 286.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.16812 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 108790-63-2 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OC)C |
| InChIKey | MXNIQFSQGDHUIH-UHFFFAOYSA-N |
Product Overview
1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- (CAS 108790-63-2), with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol. IUPAC: 2-(4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-
Property Insights of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-. With a topological polar surface area (TPSA) of 32.8 Ų, 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- has 0 hydrogen bond donor(s) and 4 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-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-?
The CAS number of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- is 108790-63-2.
What is the molecular formula of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-?
The molecular formula of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- is C17H22N2O2.
What is the molecular weight of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-?
The molecular weight of 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- is 286.17 g/mol.
Where can I buy 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-?
You can request a quote for 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaadamantan-6-one, 2-(4-methoxyphenyl)-5,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.