1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine
TL;DR: 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine (CAS 415701-07-4) is a chemical compound with molecular formula C12H15ClN2O4S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidine
Also Known As: 1-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-3-methylpiperidine, 1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidine, BAS 01237084, AB00081506-01
| Molecular Formula | C12H15ClN2O4S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.6688 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0441 |
| Heavy Atoms | 20 |
| Complexity | 632.34454 |
Chemical Identifiers
| CAS Number | 415701-07-4 |
|---|---|
| SMILES | CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine (CAS 415701-07-4), with molecular formula C12H15ClN2O4S and molecular weight 318.04 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidine.
Chemical Property Profile of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine
Property Insights of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine
The XLogP value of 2.6688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine 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 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine?
The CAS number of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine is 415701-07-4.
What is the molecular formula of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine?
The molecular formula of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine is C12H15ClN2O4S.
What is the molecular weight of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine?
The molecular weight of 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine is 318.04 g/mol.
Where can I buy 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine?
You can request a quote for 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrobenzenesulfonyl)-3-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.