N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
TL;DR: N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 347353-94-0) is a chemical compound with molecular formula C24H26N4O2 and molecular weight 402.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Also Known As: BIM-0002753.P001, N-Benzhydryl-5-(4-methyl-1-piperazinyl)-2-nitroaniline, N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline, AN-465/14457034, 1-{3-(benzhydrylamino)-4-nitrophenyl}-4-methylpiperazine
| Molecular Formula | C24H26N4O2 |
|---|---|
| Molecular Weight | 402.21 g/mol |
| LogP | 4.5481 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.20557 |
| Heavy Atoms | 30 |
| Complexity | 947.1025 |
Chemical Identifiers
| CAS Number | 347353-94-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 347353-94-0), with molecular formula C24H26N4O2 and molecular weight 402.21 g/mol. IUPAC: N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline.
Chemical Property Profile of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Property Insights of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
The XLogP value of 4.5481 indicates that N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline has 1 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 N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The CAS number of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 347353-94-0.
What is the molecular formula of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular formula of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline is C24H26N4O2.
What is the molecular weight of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular weight of N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 402.21 g/mol.
Where can I buy N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
You can request a quote for N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.