2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone
TL;DR: 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone (CAS 282104-37-4) is a chemical compound with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-nitrophenyl)-(4-methylpiperidin-1-yl)methanone
Also Known As: 2-chloro-5-nitrophenyl 4-methylpiperidyl ketone, (2-chloro-5-nitrophenyl)-(4-methylpiperidin-1-yl)methanone, (2-CHLORO-5-NITROPHENYL)(4-METHYLPIPERIDINO)METHANONE, 1-[(2-CHLORO-5-NITROPHENYL)CARBONYL]-4-METHYLPIPERIDINE
| Molecular Formula | C13H15ClN2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.07712 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 282104-37-4 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| InChIKey | YWUYDEFDHOGXRX-UHFFFAOYSA-N |
Product Overview
2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone (CAS 282104-37-4), with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol. IUPAC: (2-chloro-5-nitrophenyl)-(4-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone
Property Insights of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone
The XLogP value of 3.2 indicates that 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone. Following Lipinski's Rule of Five, 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone 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 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone?
The CAS number of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone is 282104-37-4.
What is the molecular formula of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone?
The molecular formula of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone is C13H15ClN2O3.
What is the molecular weight of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone?
The molecular weight of 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone is 282.08 g/mol.
Where can I buy 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone?
You can request a quote for 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitrophenyl 4-methylpiperidyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.