1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene
TL;DR: 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene (CAS 1024-51-7) is a chemical compound with molecular formula C7H4Cl2N2O6S and molecular weight 313.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dichloromethylsulfonyl)-2,4-dinitrobenzene
Also Known As: 1-(dichloromethylsulfonyl)-2,4-dinitrobenzene, Dichlormethyl-(2,4-dinitrophenyl)-sulfon, 1-((dichloromethyl)sulfonyl)-2,4-dinitrobenzene, 1-(Dichloromethanesulfonyl)-2,4-dinitrobenzene, Sulfone, dichloromethyl 2,4-dinitrophenyl (7CI,8CI)
| Molecular Formula | C7H4Cl2N2O6S |
|---|---|
| Molecular Weight | 313.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.91672 |
| Heavy Atoms | 18 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 1024-51-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C(Cl)Cl |
| InChIKey | XRPXPIHZGVZKHA-UHFFFAOYSA-N |
Product Overview
1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene (CAS 1024-51-7), with molecular formula C7H4Cl2N2O6S and molecular weight 313.92 g/mol. IUPAC: 1-(dichloromethylsulfonyl)-2,4-dinitrobenzene.
Chemical Property Profile of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene
Property Insights of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(Dichloromethylsulfonyl)-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
Frequently Asked Questions
What is the CAS number of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene?
The CAS number of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene is 1024-51-7.
What is the molecular formula of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene?
The molecular formula of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene is C7H4Cl2N2O6S.
What is the molecular weight of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene?
The molecular weight of 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene is 313.92 g/mol.
Where can I buy 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene?
You can request a quote for 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dichloromethylsulfonyl)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.