![3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole structure](/static/products/111/111601-99-1.webp)
3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole
TL;DR: 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole (CAS 111601-99-1) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-1H-indol-3-yl)-N-(4-nitrophenyl)methanimine
Also Known As: 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole, N-[(2-methylindol-3-ylidene)methyl]-4-nitroaniline, 3-[(1E)-2-(4-nitrophenyl)-2-azavinyl]-2-methylindole, N-[(Z)-(2-methylindol-3-ylidene)methyl]-4-nitroaniline, 1-(2-methyl-1H-indol-3-yl)-N-(4-nitrophenyl)methanimine
Technical Specifications
| Molecular Formula | C16H13N3O2 |
| Molecular Weight | 279.10077 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.10077 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | NUYXBWQZOBIXAI-UHFFFAOYSA-N |
Chemical Property Profile of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole
Property Insights of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole
The XLogP value of 3.6 indicates that 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole. Following Lipinski's Rule of Five, 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole?
The CAS number of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole is 111601-99-1.
What is the molecular formula of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole?
The molecular formula of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole is C16H13N3O2.
What is the molecular weight of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole?
The molecular weight of 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole is 279.10077 g/mol.
Where can I buy 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole?
You can request a quote for 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole?
Yes, CoreyChem provides custom synthesis services for 3-[({4-nitrophenyl}imino)methyl]-2-methyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.