1-(Methylsulfonyl)-4-nitrobenzene
TL;DR: 1-(Methylsulfonyl)-4-nitrobenzene (CAS 29933-95-7) is a chemical compound with molecular formula C7H7NO4S and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-4-nitrobenzene
Also Known As: 1-(Methylsulfonyl)-4-nitrobenzene, 1-methylsulfonyl-4-nitrobenzene, Methyl 4-nitrophenyl sulfone, 1-Methanesulfonyl-4-nitrobenzene, Benzene, 1-(methylsulfonyl)-4-nitro-
| Molecular Formula | C7H7NO4S |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.00958 |
| Heavy Atoms | 13 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 29933-95-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XONGBDXIFQIQBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylsulfonyl)-4-nitrobenzene (CAS 29933-95-7), with molecular formula C7H7NO4S and molecular weight 201.01 g/mol. IUPAC: 1-methylsulfonyl-4-nitrobenzene.
Chemical Property Profile of 1-(Methylsulfonyl)-4-nitrobenzene
Property Insights of 1-(Methylsulfonyl)-4-nitrobenzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfonyl)-4-nitrobenzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylsulfonyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Methylsulfonyl)-4-nitrobenzene 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 1-(Methylsulfonyl)-4-nitrobenzene?
The CAS number of 1-(Methylsulfonyl)-4-nitrobenzene is 29933-95-7.
What is the molecular formula of 1-(Methylsulfonyl)-4-nitrobenzene?
The molecular formula of 1-(Methylsulfonyl)-4-nitrobenzene is C7H7NO4S.
What is the molecular weight of 1-(Methylsulfonyl)-4-nitrobenzene?
The molecular weight of 1-(Methylsulfonyl)-4-nitrobenzene is 201.01 g/mol.
Where can I buy 1-(Methylsulfonyl)-4-nitrobenzene?
You can request a quote for 1-(Methylsulfonyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulfonyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfonyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.