1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide
TL;DR: 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide (CAS 111562-06-2) is a chemical compound with molecular formula C20H42BrN3O and molecular weight 419.25113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-decyl-N,N-diethyl-4-methylpiperazin-4-ium-1-carboxamide bromide
Also Known As: 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazinium bromide, Piperazinium, 1-decyl-4-(diethylcarbamoyl)-1-methyl-, bromide, 1-Decyl-4-diaethylcarbamoyl-1-methyl-piperazinium,Bromid, 1-DECYL-4-(DIETHYLCARBAMOYL)-1-METHYLPIPERAZIN-1-IUM BROMIDE, 4-decyl-N,N-diethyl-4-methylpiperazin-4-ium-1-carboxamide;bromide
Technical Specifications
| Molecular Formula | C20H42BrN3O |
| Molecular Weight | 419.25113 g/mol |
| XLogP | 1.3551 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.25113 Da |
| Heavy Atoms | 25 |
| Complexity | 334.0 |
| SMILES | CCCCCCCCCC[N+]1(CCN(CC1)C(=O)N(CC)CC)C.[Br-] |
| InChIKey | SVTLSHAWHPYAHJ-UHFFFAOYSA-M |
Chemical Property Profile of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide
Property Insights of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide
The XLogP value of 1.3551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide. With a topological polar surface area (TPSA) of 23.6 Ų, 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide?
The CAS number of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide is 111562-06-2.
What is the molecular formula of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide?
The molecular formula of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide is C20H42BrN3O.
What is the molecular weight of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide?
The molecular weight of 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide is 419.25113 g/mol.
Where can I buy 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide?
You can request a quote for 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide?
Yes, CoreyChem provides custom synthesis services for 1-Decyl-4-(diethylcarbamoyl)-1-methylpiperazin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.