N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
TL;DR: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide (CAS 879459-55-9) is a chemical compound with molecular formula C22H23ClN4O3 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
Also Known As: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide, N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide, AN-329/43210830, 4-(4-chloro-5-methyl-3-nitropyrazolyl)-N,N-bisbenzylbutanamide, N,N-Dibenzyl-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-butyramide
| Molecular Formula | C22H23ClN4O3 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 4.76232 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.14587 |
| Heavy Atoms | 30 |
| Complexity | 964.48193 |
Chemical Identifiers
| CAS Number | 879459-55-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])Cl |
Product Overview
N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide (CAS 879459-55-9), with molecular formula C22H23ClN4O3 and molecular weight 426.15 g/mol. IUPAC: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide.
Chemical Property Profile of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
Property Insights of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
The XLogP value of 4.76232 indicates that N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide. Following Lipinski's Rule of Five, N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide has 0 hydrogen bond donor(s) and 4 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 N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The CAS number of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is 879459-55-9.
What is the molecular formula of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The molecular formula of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is C22H23ClN4O3.
What is the molecular weight of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The molecular weight of N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is 426.15 g/mol.
Where can I buy N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
You can request a quote for N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.