3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile
TL;DR: 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile (CAS 1025564-22-0) is a chemical compound with molecular formula C23H13ClN2O4S and molecular weight 448.02844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile, 3-((9,10-DIOXOANTHRYL)AMINO)-2-((4-CHLOROPHENYL)SULFONYL)PROP-2-ENENITRILE, 2-(4-chlorobenzenesulfonyl)-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxo-1-anthryl)amino]prop-2-enenitrile, (Z)-2-[(4-chlorophenyl)sulfonyl]-3-[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]-2-propenenitrile
Technical Specifications
| Molecular Formula | C23H13ClN2O4S |
| Molecular Weight | 448.02844 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.02844 Da |
| Heavy Atoms | 31 |
| Complexity | 908.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl |
| InChIKey | DQPYHLBJYWGSJY-UHFFFAOYSA-N |
Chemical Property Profile of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile
Property Insights of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile
The XLogP value of 4.9 indicates that 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile?
The CAS number of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile is 1025564-22-0.
What is the molecular formula of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile?
The molecular formula of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile is C23H13ClN2O4S.
What is the molecular weight of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile?
The molecular weight of 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile is 448.02844 g/mol.
Where can I buy 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile?
You can request a quote for 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-((9,10-Dioxoanthryl)amino)-2-((4-chlorophenyl)sulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.