1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-
TL;DR: 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- (CAS 108790-72-3) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-pyridin-3-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 00334653, 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-, AE-848/31945023, 5,7-dimethyl-2-(pyridin-3-yl)-1,3-diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridinyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 108790-72-3 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CN=CC=C4)C |
| InChIKey | BNTNSFQIHYJJSY-UHFFFAOYSA-N |
Product Overview
1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- (CAS 108790-72-3), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 5,7-dimethyl-2-pyridin-3-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-
Property Insights of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-. With a topological polar surface area (TPSA) of 36.4 Ų, 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- 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, 5,7-dimethyl-2-(3-pyridyl)-?
The CAS number of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- is 108790-72-3.
What is the molecular formula of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-?
The molecular formula of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- is C15H19N3O.
What is the molecular weight of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-?
The molecular weight of 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- is 257.15 g/mol.
Where can I buy 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-?
You can request a quote for 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- 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, 5,7-dimethyl-2-(3-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.