3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine
TL;DR: 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine (CAS 677012-76-9) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine
Also Known As: 3,3-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine, 3,3-dimethyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]piperidine
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.71392 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.11438 |
| Heavy Atoms | 21 |
| Complexity | 667.55164 |
Chemical Identifiers
| CAS Number | 677012-76-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)(C)C |
Product Overview
3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine (CAS 677012-76-9), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: 3,3-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine.
Chemical Property Profile of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine
Property Insights of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine
The XLogP value of 2.71392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(2-methyl-5-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 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine?
The CAS number of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine is 677012-76-9.
What is the molecular formula of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine?
The molecular formula of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine is C14H20N2O4S.
What is the molecular weight of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine?
The molecular weight of 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine is 312.11 g/mol.
Where can I buy 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine?
You can request a quote for 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.