4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
TL;DR: 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine (CAS 302552-68-7) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
Also Known As: BAS 00500648, 4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine, 4-methyl-1-(4-methyl-3-nitro-benzenesulfonyl)piperidine, Piperidine, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]-, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]piperidine
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.32382 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 619.25836 |
Chemical Identifiers
| CAS Number | 302552-68-7 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] |
Product Overview
4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine (CAS 302552-68-7), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: 4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine.
Chemical Property Profile of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
Property Insights of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
The XLogP value of 2.32382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine. Following Lipinski's Rule of Five, 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine 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 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine?
The CAS number of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine is 302552-68-7.
What is the molecular formula of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine?
The molecular formula of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine is C13H18N2O4S.
What is the molecular weight of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine?
The molecular weight of 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine is 298.10 g/mol.
Where can I buy 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine?
You can request a quote for 4-Methyl-1-(4-methyl-3-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-methyl-3-nitrophenyl)sulfonylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.