4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
TL;DR: 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine (CAS 321970-52-9) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-(4-nitrophenyl)sulfonylpiperidine
Also Known As: 4-methyl-1-(4-nitrophenyl)sulfonylpiperidine, 4-methyl-1-(4-nitrobenzenesulfonyl)piperidine, BAS 00439758, 4-Methyl-1-(4-nitro-benzenesulfonyl)-piperidine, 4-methyl-1-[(4-nitrophenyl)sulfonyl]piperidine
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 321970-52-9 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KMPYGZSGASXYPW-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine (CAS 321970-52-9), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 4-methyl-1-(4-nitrophenyl)sulfonylpiperidine.
Chemical Property Profile of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
Property Insights of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine. Following Lipinski's Rule of Five, 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine 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 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine?
The CAS number of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine is 321970-52-9.
What is the molecular formula of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine?
The molecular formula of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine is C12H16N2O4S.
What is the molecular weight of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine?
The molecular weight of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine is 284.08 g/mol.
Where can I buy 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine?
You can request a quote for 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.