(2,6-Dimethylphenylsulfonyl)nitromethane
TL;DR: (2,6-Dimethylphenylsulfonyl)nitromethane (CAS 122263-14-3) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-(nitromethylsulfonyl)benzene
Also Known As: (2,6-Dimethylphenylsulfonyl)nitromethane, Ici 215918, 1,3-dimethyl-2-(nitromethylsulfonyl)benzene, 2,6-Dimethylphenyl(nitromethyl) sulfone, (2,6-dimethylphenylsulphonyl)-nitromethane
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 122263-14-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)S(=O)(=O)C[N+](=O)[O-] |
| InChIKey | IKODJCPZKSJKPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,6-Dimethylphenylsulfonyl)nitromethane (CAS 122263-14-3), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 1,3-dimethyl-2-(nitromethylsulfonyl)benzene.
Chemical Property Profile of (2,6-Dimethylphenylsulfonyl)nitromethane
Property Insights of (2,6-Dimethylphenylsulfonyl)nitromethane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dimethylphenylsulfonyl)nitromethane. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-Dimethylphenylsulfonyl)nitromethane. Following Lipinski's Rule of Five, (2,6-Dimethylphenylsulfonyl)nitromethane 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 (2,6-Dimethylphenylsulfonyl)nitromethane?
The CAS number of (2,6-Dimethylphenylsulfonyl)nitromethane is 122263-14-3.
What is the molecular formula of (2,6-Dimethylphenylsulfonyl)nitromethane?
The molecular formula of (2,6-Dimethylphenylsulfonyl)nitromethane is C9H11NO4S.
What is the molecular weight of (2,6-Dimethylphenylsulfonyl)nitromethane?
The molecular weight of (2,6-Dimethylphenylsulfonyl)nitromethane is 229.04 g/mol.
Where can I buy (2,6-Dimethylphenylsulfonyl)nitromethane?
You can request a quote for (2,6-Dimethylphenylsulfonyl)nitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dimethylphenylsulfonyl)nitromethane?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dimethylphenylsulfonyl)nitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.