1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine
TL;DR: 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine (CAS 321531-39-9) 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.
(4-chloro-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
Also Known As: 1-(4-chloro-3-nitrobenzoyl)-2-methylpiperidine, BAS 00622978, 4-chloro-3-nitrophenyl 2-methylpiperidyl ketone, (4-Chloro-3-nitrophenyl)(2-methyl-1-piperidinyl)methanone, (4-chloro-3-nitrophenyl)(2-methylpiperidin-1-yl)methanone
| Molecular Formula | C13H15ClN2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.2628 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07712 |
| Heavy Atoms | 19 |
| Complexity | 518.60986 |
Chemical Identifiers
| CAS Number | 321531-39-9 |
|---|---|
| SMILES | CC1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine (CAS 321531-39-9), with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine
Property Insights of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine
The XLogP value of 3.2628 indicates that 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine 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)-2-methylpiperidine. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine 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)-2-methylpiperidine?
The CAS number of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine is 321531-39-9.
What is the molecular formula of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine?
The molecular formula of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine is C13H15ClN2O3.
What is the molecular weight of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine?
The molecular weight of 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine is 282.08 g/mol.
Where can I buy 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine?
You can request a quote for 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine 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)-2-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrobenzoyl)-2-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.