![4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate structure](/static/products/5799/5799-49-5.webp)
4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
TL;DR: 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate (CAS 5799-49-5) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
Also Known As: 4-nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate, A1553/0067613, (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate, 4-NITROBENZYL 1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINECARBOXYLATE, (4-Nitrophenyl)methyl 1-(4-methylbenzene-1-sulfonyl)piperidine-4-carboxylate
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 3.04732 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 978.6364 |
Chemical Identifiers
| CAS Number | 5799-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate (CAS 5799-49-5), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
Property Insights of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
The XLogP value of 3.04732 indicates that 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]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 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate?
The CAS number of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate is 5799-49-5.
What is the molecular formula of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate?
The molecular formula of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate is C20H22N2O6S.
What is the molecular weight of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate?
The molecular weight of 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate is 418.12 g/mol.
Where can I buy 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate?
You can request a quote for 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]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 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.