(1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 876720-97-7) is a chemical compound with molecular formula C18H24N2O and molecular weight 284.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 10230739, (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, (5s,7s)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 2-(4-Ethyl-phenyl)-5,7-dimethyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one, 2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C18H24N2O |
|---|---|
| Molecular Weight | 284.19 g/mol |
| LogP | 2.4741 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.18887 |
| Heavy Atoms | 21 |
| Complexity | 551.74084 |
Chemical Identifiers
| CAS Number | 876720-97-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4=O)C)C |
Product Overview
(1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 876720-97-7), with molecular formula C18H24N2O and molecular weight 284.19 g/mol. IUPAC: 2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
The XLogP value of 2.4741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one. With a topological polar surface area (TPSA) of 23.55 Ų, (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-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 (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 876720-97-7.
What is the molecular formula of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is C18H24N2O.
What is the molecular weight of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 284.19 g/mol.
Where can I buy (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-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 (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.