1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene
TL;DR: 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene (CAS 73927-20-5) is a chemical compound with molecular formula C12H13ClN2O5S and molecular weight 332.02338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorocyclohexyl)sulfinyl-2,4-dinitrobenzene
Also Known As: Benzene,4-dinitro-, Sulfoxide,4-dinitrophenyl, 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfoxide, (2-Chlorocyclohexyl)2,4-dinitrophenyl sulfoxide, 1-(2-Chlorocyclohexylsulfinyl)-2,4-dinitrobenzene
Technical Specifications
| Molecular Formula | C12H13ClN2O5S |
| Molecular Weight | 332.02338 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.02338 Da |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
| SMILES | C1CCC(C(C1)S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | OMSWTTLZLNVEJO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene
Property Insights of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene has 0 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 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene?
The CAS number of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene is 73927-20-5.
What is the molecular formula of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene?
The molecular formula of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene is C12H13ClN2O5S.
What is the molecular weight of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene?
The molecular weight of 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene is 332.02338 g/mol.
Where can I buy 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene?
You can request a quote for 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.