2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
TL;DR: 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CAS 852406-68-9) is a chemical compound with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
Also Known As: 2-(2-chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone, 2-(2-chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one, REGID_for_CID_4780114
| Molecular Formula | C15H19ClN2O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 3.1315 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10333 |
| Heavy Atoms | 22 |
| Complexity | 568.6609 |
Chemical Identifiers
| CAS Number | 852406-68-9 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C |
Product Overview
2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CAS 852406-68-9), with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol. IUPAC: 2-(2-chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
Chemical Property Profile of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
Property Insights of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
The XLogP value of 3.1315 indicates that 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone 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 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The CAS number of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is 852406-68-9.
What is the molecular formula of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The molecular formula of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is C15H19ClN2O4.
What is the molecular weight of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The molecular weight of 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is 326.10 g/mol.
Where can I buy 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
You can request a quote for 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.