Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate (CAS 931801-93-3) is a chemical compound with molecular formula C15H20N2O6S and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
Also Known As: ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate, ethyl 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate, ethyl 1-[(2-methyl-5-nitrophenyl)sulfonyl]piperidine-4-carboxylate
| Molecular Formula | C15H20N2O6S |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 1.86702 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10422 |
| Heavy Atoms | 24 |
| Complexity | 738.33124 |
Chemical Identifiers
| CAS Number | 931801-93-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate (CAS 931801-93-3), with molecular formula C15H20N2O6S and molecular weight 356.10 g/mol. IUPAC: ethyl 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate
The XLogP value of 1.86702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate is 931801-93-3.
What is the molecular formula of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate is C15H20N2O6S.
What is the molecular weight of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate is 356.10 g/mol.
Where can I buy Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.