N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline
TL;DR: N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline (CAS 457650-96-3) is a chemical compound with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-3-nitroaniline
Also Known As: F1116-0097, N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline, N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-3-nitroaniline, N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-3-nitroaniline, [(2-methylindol-3-yl)-2-pyridylmethyl](3-nitrophenyl)amine
| Molecular Formula | C21H18N4O2 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 4.98102 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14297 |
| Heavy Atoms | 27 |
| Complexity | 1105.5876 |
Chemical Identifiers
| CAS Number | 457650-96-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)NC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline (CAS 457650-96-3), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-3-nitroaniline.
Chemical Property Profile of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline
Property Insights of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline
The XLogP value of 4.98102 indicates that N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline. Following Lipinski's Rule of Five, N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline has 2 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-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline?
The CAS number of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline is 457650-96-3.
What is the molecular formula of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline?
The molecular formula of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline is C21H18N4O2.
What is the molecular weight of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline?
The molecular weight of N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline is 358.14 g/mol.
Where can I buy N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline?
You can request a quote for N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.