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N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline
TL;DR: N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline (CAS 457650-57-6) 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]-4-nitroaniline
Also Known As: N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline, F1116-0023, N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline, [(2-methylindol-3-yl)-2-pyridylmethyl](4-nitrophenyl)amine, N-((2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl)-4-nitroaniline
| 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 | 1088.3376 |
Chemical Identifiers
| CAS Number | 457650-57-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline (CAS 457650-57-6), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline.
Chemical Property Profile of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline
Property Insights of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline
The XLogP value of 4.98102 indicates that N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-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]-4-nitroaniline. Following Lipinski's Rule of Five, N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-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]-4-nitroaniline?
The CAS number of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline is 457650-57-6.
What is the molecular formula of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline?
The molecular formula of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline is C21H18N4O2.
What is the molecular weight of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline?
The molecular weight of N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline is 358.14 g/mol.
Where can I buy N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline?
You can request a quote for N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-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]-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.