Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-
TL;DR: Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- (CAS 111601-52-6) is a chemical compound with molecular formula C15H11N3O2 and molecular weight 265.0851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1H-indol-3-yl)-N-(4-nitrophenyl)methanimine
Also Known As: BAS 00484929, N-(indol-3-ylidenemethyl)-4-nitroaniline, Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-, BIM-0017182.P001, N-[(E)-indol-3-ylidenemethyl]-4-nitroaniline
Technical Specifications
| Molecular Formula | C15H11N3O2 |
| Molecular Weight | 265.0851 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0851 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | HCEQQBGGYWDSEA-UHFFFAOYSA-N |
Chemical Property Profile of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-
Property Insights of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-
The XLogP value of 3.3 indicates that Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- 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 Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-. Following Lipinski's Rule of Five, Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- 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 Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-?
The CAS number of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- is 111601-52-6.
What is the molecular formula of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-?
The molecular formula of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- is C15H11N3O2.
What is the molecular weight of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-?
The molecular weight of Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- is 265.0851 g/mol.
Where can I buy Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-?
You can request a quote for Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzenamine, N-(1H-indol-3-ylmethylene)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.