![5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/121/1219125-25-3.webp)
5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 1219125-25-3) is a chemical compound with molecular formula C17H30N2O5 and molecular weight 342.21548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,5R,7S)-5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one
Technical Specifications
| Molecular Formula | C17H30N2O5 |
| Molecular Weight | 342.21548 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.21548 Da |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C(C(C(CO)O)O)O)C |
| InChIKey | LIIQHDIBQVFXHJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of -0.8 indicates that 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. Following Lipinski's Rule of Five, 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 1219125-25-3.
What is the molecular formula of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C17H30N2O5.
What is the molecular weight of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 342.21548 g/mol.
Where can I buy 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, CoreyChem provides custom synthesis services for 5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.