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Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-
TL;DR: Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- (CAS 19822-27-6) is a chemical compound with molecular formula C12H13F3N2O4S and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine
Also Known As: Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-, 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine, 1-[2-Nitro-4-(trifluoromethanesulfonyl)phenyl]piperidine, 1-{2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}piperidine
| Molecular Formula | C12H13F3N2O4S |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 2.8786 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0548 |
| Heavy Atoms | 22 |
| Complexity | 682.10205 |
Chemical Identifiers
| CAS Number | 19822-27-6 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- (CAS 19822-27-6), with molecular formula C12H13F3N2O4S and molecular weight 338.05 g/mol. IUPAC: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine.
Chemical Property Profile of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-
Property Insights of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-
The XLogP value of 2.8786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-. Following Lipinski's Rule of Five, Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- 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 Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-?
The CAS number of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- is 19822-27-6.
What is the molecular formula of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-?
The molecular formula of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- is C12H13F3N2O4S.
What is the molecular weight of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-?
The molecular weight of Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- is 338.05 g/mol.
Where can I buy Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-?
You can request a quote for Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.