3-(4-Nitroanilino)-1H-indole-2-carbaldehyde
TL;DR: 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde (CAS 167954-14-5) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-nitroanilino)-1H-indole-2-carbaldehyde
Also Known As: 3-((4-Nitrophenyl)amino)-1H-indole-2-carbaldehyde, 3-(4-nitroanilino)-1H-indole-2-carbaldehyde, CHEMBRDG-BB 6044904, 3-[(4-nitrophenyl)amino]-1H-indole-2-carbaldehyde, 2-formyl-3-(p-nitrophenyl)aminoindole
Technical Specifications
| Molecular Formula | C15H11N3O3 |
| Molecular Weight | 281.08005 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08005 Da |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FFUSCPQVEJMTEU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde
Property Insights of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde
The XLogP value of 3.8 indicates that 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde. Following Lipinski's Rule of Five, 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde 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
What is the CAS number of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde?
The CAS number of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde is 167954-14-5.
What is the molecular formula of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde?
The molecular formula of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde is C15H11N3O3.
What is the molecular weight of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde?
The molecular weight of 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde is 281.08005 g/mol.
Where can I buy 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde?
You can request a quote for 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-(4-Nitroanilino)-1H-indole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.