C20H12ClN3O4S2
TL;DR: C20H12ClN3O4S2 (CAS 1025241-27-3) is a chemical compound with molecular formula C20H12ClN3O4S2 and molecular weight 456.9958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enenitrile
Also Known As: 2-((4-CHLOROPHENYL)SULFONYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE, (E)-2-(4-chlorophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-[5-nitro-2-(2-pyridylsulfanyl)phenyl]prop-2-enenitrile
Technical Specifications
| Molecular Formula | C20H12ClN3O4S2 |
| Molecular Weight | 456.9958 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.9958 Da |
| Heavy Atoms | 30 |
| Complexity | 791.0 |
| SMILES | C1=CC=NC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | QKLZMKOHJYNQJE-UHFFFAOYSA-N |
Chemical Property Profile of C20H12ClN3O4S2
Property Insights of C20H12ClN3O4S2
The XLogP value of 4.9 indicates that C20H12ClN3O4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting C20H12ClN3O4S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H12ClN3O4S2 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C20H12ClN3O4S2?
The CAS number of C20H12ClN3O4S2 is 1025241-27-3.
What is the molecular formula of C20H12ClN3O4S2?
The molecular formula of C20H12ClN3O4S2 is C20H12ClN3O4S2.
What is the molecular weight of C20H12ClN3O4S2?
The molecular weight of C20H12ClN3O4S2 is 456.9958 g/mol.
Where can I buy C20H12ClN3O4S2?
You can request a quote for C20H12ClN3O4S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H12ClN3O4S2?
Yes, CoreyChem provides custom synthesis services for C20H12ClN3O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.