![N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide structure](/static/products/5381/5381-77-1.webp)
N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide
TL;DR: N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide (CAS 5381-77-1) is a chemical compound with molecular formula C19H19F6N3O3 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
Also Known As: N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide, N-[3,5-Bis(trifluoromethyl)phenyl](2-hydroxy-4-oxo-1,3-diazaspiro[4.6]undec-1-en-3-yl)ethanimidic acid, N-[3,5-Bis(trifluoromethyl)phenyl]-2-(2-hydroxy-4-oxo-1,3-diazaspiro[4.6]undec-1-en-3-yl)ethanimidic acid
| Molecular Formula | C19H19F6N3O3 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 4.3075 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.13306 |
| Heavy Atoms | 31 |
| Complexity | 856.6049 |
Chemical Identifiers
| CAS Number | 5381-77-1 |
|---|---|
| SMILES | C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide (CAS 5381-77-1), with molecular formula C19H19F6N3O3 and molecular weight 451.13 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
Chemical Property Profile of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide
Property Insights of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide
The XLogP value of 4.3075 indicates that N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide. Following Lipinski's Rule of Five, N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide has 2 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 N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide?
The CAS number of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide is 5381-77-1.
What is the molecular formula of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide?
The molecular formula of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide is C19H19F6N3O3.
What is the molecular weight of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide?
The molecular weight of N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide is 451.13 g/mol.
Where can I buy N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide?
You can request a quote for N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-methyl-piperazin-1-yl)-3-nitro-phenyl]-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.