![1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine structure](/static/products/403/403502-84-1.png)
1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine
TL;DR: 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine (CAS 403502-84-1) is a chemical compound with molecular formula C11H11F3N2O4S and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidine
Also Known As: 1-{2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine, 1-(2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl)pyrrolidine, 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidine, 1-(2-NITRO-4-TRIFLUOROMETHANESULFONYLPHENYL)PYRROLIDINE, 1-{2-Nitro-4-(trifluoromethyl)sulfonylphenyl}pyrrolidine
| Molecular Formula | C11H11F3N2O4S |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 2.4885 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.03915 |
| Heavy Atoms | 21 |
| Complexity | 666.5362 |
Chemical Identifiers
| CAS Number | 403502-84-1 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine (CAS 403502-84-1), with molecular formula C11H11F3N2O4S and molecular weight 324.04 g/mol. IUPAC: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidine.
Chemical Property Profile of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine
Property Insights of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine
The XLogP value of 2.4885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine. Following Lipinski's Rule of Five, 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine has 0 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 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine?
The CAS number of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine is 403502-84-1.
What is the molecular formula of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine?
The molecular formula of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine is C11H11F3N2O4S.
What is the molecular weight of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine?
The molecular weight of 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine is 324.04 g/mol.
Where can I buy 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine?
You can request a quote for 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-Nitro-4-[(trifluoromethyl)sulfonyl]phenyl}pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.