![1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide structure](/static/products/444/444934-41-2.png)
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide
TL;DR: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide (CAS 444934-41-2) is a chemical compound with molecular formula C21H20ClFN4O5 and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide
Also Known As: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide, 1-(2-chloro-4-fluorobenzyl)-N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-4-piperidinecarbohydrazide, 1-(2-chloro-4-fluorobenzyl)-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]piperidine-4-carbohydrazide, N-[(1E)-2-(6-nitro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-1-azavinyl]{1-[(2-chloro -4-fluorophenyl)methyl](4-piperidyl)}carboxamide
| Molecular Formula | C21H20ClFN4O5 |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 3.4783 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.11063 |
| Heavy Atoms | 32 |
| Complexity | 1072.3958 |
Chemical Identifiers
| CAS Number | 444934-41-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=C(C=C(C=C4)F)Cl |
Product Overview
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide (CAS 444934-41-2), with molecular formula C21H20ClFN4O5 and molecular weight 462.11 g/mol. IUPAC: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide.
Chemical Property Profile of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide
Property Insights of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide
The XLogP value of 3.4783 indicates that 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 7 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-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide?
The CAS number of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide is 444934-41-2.
What is the molecular formula of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide?
The molecular formula of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide is C21H20ClFN4O5.
What is the molecular weight of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide?
The molecular weight of 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide is 462.11 g/mol.
Where can I buy 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide?
You can request a quote for 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.