4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine
TL;DR: 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine (CAS 349399-72-0) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone
Also Known As: BIM-0006932.P001, 4-benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine, 4,5-dimethoxy-2-nitrophenyl 4-benzylpiperidyl ketone, (4-benzylpiperidin-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone, (4-benzylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 3.7069 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 845.3745 |
Chemical Identifiers
| CAS Number | 349399-72-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC |
Product Overview
4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine (CAS 349399-72-0), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: (4-benzylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone.
Chemical Property Profile of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine
Property Insights of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine
The XLogP value of 3.7069 indicates that 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine. Following Lipinski's Rule of Five, 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine has 0 hydrogen bond donor(s) and 5 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 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine?
The CAS number of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine is 349399-72-0.
What is the molecular formula of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine?
The molecular formula of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine is C21H24N2O5.
What is the molecular weight of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine?
The molecular weight of 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine is 384.17 g/mol.
Where can I buy 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine?
You can request a quote for 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.