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1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile
TL;DR: 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile (CAS 405155-89-7) is a chemical compound with molecular formula C17H14N4O2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile
Also Known As: 1-methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile, BAS 01511047, 2-({2-nitroanilino}methyl)-1-methyl-1H-indole-3-carbonitrile, 1-methyl-2-{[(2-nitrophenyl)amino]methyl}-1H-indole-3-carbonitrile, 1-methyl-2-(((2-nitrophenyl)amino)methyl)-1H-indole-3-carbonitrile
| Molecular Formula | C17H14N4O2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 3.57028 |
| Topological Polar Surface Area | 83.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.11166 |
| Heavy Atoms | 23 |
| Complexity | 937.4066 |
Chemical Identifiers
| CAS Number | 405155-89-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=C3[N+](=O)[O-])C#N |
Product Overview
1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile (CAS 405155-89-7), with molecular formula C17H14N4O2 and molecular weight 306.11 g/mol. IUPAC: 1-methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile.
Chemical Property Profile of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile
Property Insights of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile
The XLogP value of 3.57028 indicates that 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile. Following Lipinski's Rule of Five, 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile has 1 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 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile?
The CAS number of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile is 405155-89-7.
What is the molecular formula of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile?
The molecular formula of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile is C17H14N4O2.
What is the molecular weight of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile?
The molecular weight of 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile is 306.11 g/mol.
Where can I buy 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile?
You can request a quote for 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[(2-nitroanilino)methyl]indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.