1-(2,4-Dinitrophenyl)piperidine
TL;DR: 1-(2,4-Dinitrophenyl)piperidine (CAS 839-93-0) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)piperidine
Also Known As: 1-(2,4-dinitrophenyl)piperidine, 1- PIPERIDINE, Maybridge1_000108, (2,4-dinitrophenyl)piperidine, Piperidine,4-dinitrophenyl)
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 839-93-0 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MPGYUYKSTWTQFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Dinitrophenyl)piperidine (CAS 839-93-0), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: 1-(2,4-dinitrophenyl)piperidine.
Chemical Property Profile of 1-(2,4-Dinitrophenyl)piperidine
Property Insights of 1-(2,4-Dinitrophenyl)piperidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dinitrophenyl)piperidine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dinitrophenyl)piperidine. Following Lipinski's Rule of Five, 1-(2,4-Dinitrophenyl)piperidine has 0 hydrogen bond donor(s) and 5 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-(2,4-Dinitrophenyl)piperidine?
The CAS number of 1-(2,4-Dinitrophenyl)piperidine is 839-93-0.
What is the molecular formula of 1-(2,4-Dinitrophenyl)piperidine?
The molecular formula of 1-(2,4-Dinitrophenyl)piperidine is C11H13N3O4.
What is the molecular weight of 1-(2,4-Dinitrophenyl)piperidine?
The molecular weight of 1-(2,4-Dinitrophenyl)piperidine is 251.09 g/mol.
Where can I buy 1-(2,4-Dinitrophenyl)piperidine?
You can request a quote for 1-(2,4-Dinitrophenyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dinitrophenyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dinitrophenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.