4-Chloro-3-nitrophenyl methyl sulfone
TL;DR: 4-Chloro-3-nitrophenyl methyl sulfone (CAS 97-07-4) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-methylsulfonyl-2-nitrobenzene
Also Known As: 4-Chloro-3-nitrophenyl methyl sulfone, 1-chloro-4-(methylsulfonyl)-2-nitrobenzene, Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-, 3-Nitro-4-chloro phenyl methyl sulfone, 1-chloro-4-methylsulfonyl-2-nitrobenzene
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 97-07-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | JAANTSGNTKWLFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-nitrophenyl methyl sulfone (CAS 97-07-4), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 1-chloro-4-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of 4-Chloro-3-nitrophenyl methyl sulfone
Property Insights of 4-Chloro-3-nitrophenyl methyl sulfone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrophenyl methyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrophenyl methyl sulfone. Following Lipinski's Rule of Five, 4-Chloro-3-nitrophenyl methyl sulfone has 0 hydrogen bond donor(s) and 4 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 4-Chloro-3-nitrophenyl methyl sulfone?
The CAS number of 4-Chloro-3-nitrophenyl methyl sulfone is 97-07-4.
What is the molecular formula of 4-Chloro-3-nitrophenyl methyl sulfone?
The molecular formula of 4-Chloro-3-nitrophenyl methyl sulfone is C7H6ClNO4S.
What is the molecular weight of 4-Chloro-3-nitrophenyl methyl sulfone?
The molecular weight of 4-Chloro-3-nitrophenyl methyl sulfone is 234.97 g/mol.
Where can I buy 4-Chloro-3-nitrophenyl methyl sulfone?
You can request a quote for 4-Chloro-3-nitrophenyl methyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-nitrophenyl methyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitrophenyl methyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.