(4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone (CAS 1011651-55-0) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[3-(1,1-dioxothiazinan-2-yl)phenyl]methanone
Also Known As: AS-871/43476703, (4-benzylpiperazin-1-yl)-[3-(1,1-dioxothiazinan-2-yl)phenyl]methanone, (4-benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone, (4-benzylpiperazin-1-yl)[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]methanone, 2-{3-[(4-benzyl-1-piperazinyl)carbonyl]phenyl}-1,2-thiazinane 1,1-dioxide
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 2.5746 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 954.2776 |
Chemical Identifiers
| CAS Number | 1011651-55-0 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
(4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone (CAS 1011651-55-0), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[3-(1,1-dioxothiazinan-2-yl)phenyl]methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone
The XLogP value of 2.5746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone has 0 hydrogen bond donor(s) and 4 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 (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone is 1011651-55-0.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone is C22H27N3O3S.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone is 413.18 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.