2-Nitro-4-(trifluoromethanesulfonyl)aniline
TL;DR: 2-Nitro-4-(trifluoromethanesulfonyl)aniline (CAS 400-23-7) is a chemical compound with molecular formula C7H5F3N2O4S and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(trifluoromethylsulfonyl)aniline
Also Known As: 2-nitro-4-(trifluoromethylsulfonyl)aniline, 2-Nitro-4- aniline, 2-Nitro-4-((trifluoromethyl)sulfonyl)aniline, 2-nitro-4-(trifluoromethylsulfonyl)benzenamine, 2-nitro-4-trifluoromethanesulfonylaniline
| Molecular Formula | C7H5F3N2O4S |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 1.4705 |
| Topological Polar Surface Area | 103.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.99222 |
| Heavy Atoms | 17 |
| Complexity | 566.9718 |
Chemical Identifiers
| CAS Number | 400-23-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N |
Product Overview
2-Nitro-4-(trifluoromethanesulfonyl)aniline (CAS 400-23-7), with molecular formula C7H5F3N2O4S and molecular weight 269.99 g/mol. IUPAC: 2-nitro-4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of 2-Nitro-4-(trifluoromethanesulfonyl)aniline
Property Insights of 2-Nitro-4-(trifluoromethanesulfonyl)aniline
The XLogP value of 1.4705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-(trifluoromethanesulfonyl)aniline. The TPSA of 103.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trifluoromethanesulfonyl)aniline. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethanesulfonyl)aniline has 1 hydrogen bond donor(s) and 5 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-Nitro-4-(trifluoromethanesulfonyl)aniline?
The CAS number of 2-Nitro-4-(trifluoromethanesulfonyl)aniline is 400-23-7.
What is the molecular formula of 2-Nitro-4-(trifluoromethanesulfonyl)aniline?
The molecular formula of 2-Nitro-4-(trifluoromethanesulfonyl)aniline is C7H5F3N2O4S.
What is the molecular weight of 2-Nitro-4-(trifluoromethanesulfonyl)aniline?
The molecular weight of 2-Nitro-4-(trifluoromethanesulfonyl)aniline is 269.99 g/mol.
Where can I buy 2-Nitro-4-(trifluoromethanesulfonyl)aniline?
You can request a quote for 2-Nitro-4-(trifluoromethanesulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-(trifluoromethanesulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(trifluoromethanesulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.