(1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one (CAS 878441-68-0) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 13776130, (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one, 2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (5s,7s)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C21H30N2O3 |
|---|---|
| Molecular Weight | 358.23 g/mol |
| LogP | 3.0992 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.22565 |
| Heavy Atoms | 26 |
| Complexity | 675.20776 |
Chemical Identifiers
| CAS Number | 878441-68-0 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OCC)OC)CC |
Product Overview
(1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one (CAS 878441-68-0), with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol. IUPAC: 2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one
The XLogP value of 3.0992 indicates that (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-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 42.01 Ų, (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-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-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one has 0 hydrogen bond donor(s) and 5 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-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one is 878441-68-0.
What is the molecular formula of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one is C21H30N2O3.
What is the molecular weight of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one is 358.23 g/mol.
Where can I buy (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-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-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-diethyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.