3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine
TL;DR: 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine (CAS 346691-66-5) 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.
3,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperidine
Also Known As: BAS 00501395, 3,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperidine, 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-piperidine, 1-[(3,5-dimethylpiperidyl)sulfonyl]-2-nitrobenzene, 3,5-Dimethyl-1-(2-nitrophenyl)sulfonyl-piperidine
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.2614 |
| 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 | 604.5521 |
Chemical Identifiers
| CAS Number | 346691-66-5 |
|---|---|
| SMILES | CC1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine (CAS 346691-66-5), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: 3,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperidine.
Chemical Property Profile of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine
Property Insights of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine
The XLogP value of 2.2614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(2-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 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine?
The CAS number of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine is 346691-66-5.
What is the molecular formula of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine?
The molecular formula of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine is C13H18N2O4S.
What is the molecular weight of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine?
The molecular weight of 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine is 298.10 g/mol.
Where can I buy 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine?
You can request a quote for 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.