(1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one (CAS 895840-56-9) is a chemical compound with molecular formula C22H32N2O and molecular weight 340.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one, (5s,7s)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C22H32N2O |
|---|---|
| Molecular Weight | 340.25 g/mol |
| LogP | 4.0345 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.25146 |
| Heavy Atoms | 25 |
| Complexity | 606.496 |
Chemical Identifiers
| CAS Number | 895840-56-9 |
|---|---|
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)CC)CCC |
Product Overview
(1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one (CAS 895840-56-9), with molecular formula C22H32N2O and molecular weight 340.25 g/mol. IUPAC: 2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one
The XLogP value of 4.0345 indicates that (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-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)-2-(4-ethylphenyl)-5,7-dipropyl-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-dipropyl-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-dipropyl-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one is 895840-56-9.
What is the molecular formula of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one is C22H32N2O.
What is the molecular weight of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one is 340.25 g/mol.
Where can I buy (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-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-dipropyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(4-ethylphenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.