1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine
TL;DR: 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine (CAS 321531-58-2) is a chemical compound with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
Also Known As: BAS 00624460, 1-(4-CHLORO-3-NITROBENZOYL)-3,5-DIMETHYLPIPERIDINE, (4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone, 3,5-dimethylpiperidyl 4-chloro-3-nitrophenyl ketone, Methanone, (4-chloro-3-nitrophenyl)(3,5-dimethyl-1-piperidinyl)-
| Molecular Formula | C14H17ClN2O3 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 3.3663 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09277 |
| Heavy Atoms | 20 |
| Complexity | 537.2206 |
Chemical Identifiers
| CAS Number | 321531-58-2 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C |
Product Overview
1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine (CAS 321531-58-2), with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
Chemical Property Profile of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine
Property Insights of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine
The XLogP value of 3.3663 indicates that 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine has 0 hydrogen bond donor(s) and 3 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-nitrobenzoyl)-3,5-dimethylpiperidine?
The CAS number of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine is 321531-58-2.
What is the molecular formula of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine?
The molecular formula of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine is C14H17ClN2O3.
What is the molecular weight of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine?
The molecular weight of 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine is 296.09 g/mol.
Where can I buy 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine?
You can request a quote for 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine 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-nitrobenzoyl)-3,5-dimethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrobenzoyl)-3,5-dimethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.