(5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone
TL;DR: (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone (CAS 220114-40-9) is a chemical compound with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
Also Known As: 1-(5-chloro-2-nitrobenzoyl)piperidine, 5-chloro-2-nitrophenyl piperidyl ketone, (5-chloro-2-nitrophenyl)(piperidin-1-yl)methanone, (5-chloro-2-nitro-phenyl)-(1-piperidyl)methanone, (5-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
| Molecular Formula | C12H13ClN2O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 2.8743 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06146 |
| Heavy Atoms | 18 |
| Complexity | 484.2109 |
Chemical Identifiers
| CAS Number | 220114-40-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
Product Overview
(5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone (CAS 220114-40-9), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: (5-chloro-2-nitrophenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone
Property Insights of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone
The XLogP value of 2.8743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone. Following Lipinski's Rule of Five, (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone 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 (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone?
The CAS number of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone is 220114-40-9.
What is the molecular formula of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone?
The molecular formula of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone is C12H13ClN2O3.
What is the molecular weight of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone?
The molecular weight of (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone is 268.06 g/mol.
Where can I buy (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone?
You can request a quote for (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-2-nitrophenyl)(piperidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.