C21H22ClN3O2S
TL;DR: C21H22ClN3O2S (CAS 1025296-46-1) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: 3-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile, (Z)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile, 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile
Technical Specifications
| Molecular Formula | C21H22ClN3O2S |
| Molecular Weight | 415.11212 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11212 Da |
| Heavy Atoms | 28 |
| Complexity | 708.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C#N |
| InChIKey | VNOYUJMCZLVPHJ-UHFFFAOYSA-N |
Chemical Property Profile of C21H22ClN3O2S
Property Insights of C21H22ClN3O2S
The XLogP value of 4.3 indicates that C21H22ClN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22ClN3O2S. Following Lipinski's Rule of Five, C21H22ClN3O2S 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 C21H22ClN3O2S?
The CAS number of C21H22ClN3O2S is 1025296-46-1.
What is the molecular formula of C21H22ClN3O2S?
The molecular formula of C21H22ClN3O2S is C21H22ClN3O2S.
What is the molecular weight of C21H22ClN3O2S?
The molecular weight of C21H22ClN3O2S is 415.11212 g/mol.
Where can I buy C21H22ClN3O2S?
You can request a quote for C21H22ClN3O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H22ClN3O2S?
Yes, CoreyChem provides custom synthesis services for C21H22ClN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.