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Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate
TL;DR: Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate (CAS 1040236-68-7) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
Also Known As: methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate, Methyl 1-((2-nitrophenyl)sulfonyl)piperidine-2-carboxylate, Methyl 1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate, methyl 1-(2-nitrobenzenesulfonyl)piperidine-2-carboxylate, Methyl1-((2-nitrophenyl)sulfonyl)piperidine-2-carboxylate
| Molecular Formula | C13H16N2O6S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 1.311 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0729 |
| Heavy Atoms | 22 |
| Complexity | 687.52563 |
Chemical Identifiers
| CAS Number | 1040236-68-7 |
|---|---|
| SMILES | COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate (CAS 1040236-68-7), with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol. IUPAC: methyl 1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate.
Chemical Property Profile of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate
Property Insights of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate
The XLogP value of 1.311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-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 Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate?
The CAS number of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate is 1040236-68-7.
What is the molecular formula of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate?
The molecular formula of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate is C13H16N2O6S.
What is the molecular weight of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate?
The molecular weight of Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate is 328.07 g/mol.
Where can I buy Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate?
You can request a quote for Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.