1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone
TL;DR: 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone (CAS 1011958-87-4) is a chemical compound with molecular formula C17H22ClN3O4S and molecular weight 399.10196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazin-1-yl]ethanone
Also Known As: 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone, 1-[4-[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazin-1-yl]ethanone, 1-(4-{[4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}piperazin-1-yl)ethanone
Technical Specifications
| Molecular Formula | C17H22ClN3O4S |
| Molecular Weight | 399.10196 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.10196 Da |
| Heavy Atoms | 26 |
| Complexity | 643.0 |
| SMILES | CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)N3CCCCS3(=O)=O |
| InChIKey | VOMPRYDOGIRZFF-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone
Property Insights of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone 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
What is the CAS number of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone?
The CAS number of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone is 1011958-87-4.
What is the molecular formula of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone?
The molecular formula of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone is C17H22ClN3O4S.
What is the molecular weight of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone?
The molecular weight of 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone is 399.10196 g/mol.
Where can I buy 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone?
You can request a quote for 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl)piperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.