(1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one (CAS 895909-08-7) is a chemical compound with molecular formula C20H28N2O and molecular weight 312.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: AB01286011-01, (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one, (5s,7s)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C20H28N2O |
|---|---|
| Molecular Weight | 312.22 g/mol |
| LogP | 3.2543 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.22015 |
| Heavy Atoms | 23 |
| Complexity | 579.03375 |
Chemical Identifiers
| CAS Number | 895909-08-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4=O)CC)CC |
Product Overview
(1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one (CAS 895909-08-7), with molecular formula C20H28N2O and molecular weight 312.22 g/mol. IUPAC: 5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one
The XLogP value of 3.2543 indicates that (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-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)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one is 895909-08-7.
What is the molecular formula of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one is C20H28N2O.
What is the molecular weight of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one is 312.22 g/mol.
Where can I buy (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-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)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-5,7-diethyl-2-(4-ethylphenyl)-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.