1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene
TL;DR: 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene (CAS 2192-27-0) is a chemical compound with molecular formula C8H6F3NO4S and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitro-4-(trifluoromethylsulfonyl)benzene
Also Known As: 1-methyl-2-nitro-4-(trifluoromethylsulfonyl)benzene, 1-Methyl-2-nitro-4-[(trifluoromethyl)sulfanyl]benzene, 1-methyl-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene, 1-METHYL-2-NITRO-4-(TRIFLUORO-METHANESULFONYL)-BENZENE
| Molecular Formula | C8H6F3NO4S |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 2.19672 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.99695 |
| Heavy Atoms | 17 |
| Complexity | 564.6233 |
Chemical Identifiers
| CAS Number | 2192-27-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene (CAS 2192-27-0), with molecular formula C8H6F3NO4S and molecular weight 269.00 g/mol. IUPAC: 1-methyl-2-nitro-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene
Property Insights of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene
The XLogP value of 2.19672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene. Following Lipinski's Rule of Five, 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene 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-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene?
The CAS number of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene is 2192-27-0.
What is the molecular formula of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene?
The molecular formula of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene is C8H6F3NO4S.
What is the molecular weight of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene?
The molecular weight of 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene is 269.00 g/mol.
Where can I buy 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene?
You can request a quote for 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitro-4-(trifluoro-methanesulfonyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.