(5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one
TL;DR: (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one (CAS 956382-89-1) is a chemical compound with molecular formula C22H32N2O and molecular weight 340.25146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-7-methyl-2-(4-propan-2-ylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: (5s,7s)-5-butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one, 5-butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5-butyl-7-methyl-2-[4-(propan-2-yl)phenyl]-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Technical Specifications
| Molecular Formula | C22H32N2O |
| Molecular Weight | 340.25146 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.25146 Da |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)C(C)C)C |
| InChIKey | DNJISSMEIAJQGX-UHFFFAOYSA-N |
Chemical Property Profile of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one
Property Insights of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one
The XLogP value of 4.3 indicates that (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-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 23.6 Ų, (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-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
What is the CAS number of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one?
The CAS number of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one is 956382-89-1.
What is the molecular formula of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one?
The molecular formula of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one is C22H32N2O.
What is the molecular weight of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one?
The molecular weight of (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one is 340.25146 g/mol.
Where can I buy (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one?
You can request a quote for (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one?
Yes, CoreyChem provides custom synthesis services for (5s,7s)-5-Butyl-2-(4-isopropylphenyl)-7-methyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.