1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine
TL;DR: 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine (CAS 136816-99-4) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indol-2-yl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]methanone
Also Known As: BHAP indolyl pyridyl deriv., 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine, Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-nitro-2-pyridinyl)-, (1H-Indol-2-yl)[4-[3-nitro-2-pyridinyl]piperazino] ketone, 1H-indol-2-yl-[4-(3-nitro-2-pyridyl)piperazin-1-yl]methanone
Technical Specifications
| Molecular Formula | C18H17N5O3 |
| Molecular Weight | 351.13315 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.13315 Da |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
| SMILES | C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4N3 |
| InChIKey | YXYKBRQEMISPHS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine
Property Insights of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine. Following Lipinski's Rule of Five, 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine?
The CAS number of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine is 136816-99-4.
What is the molecular formula of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine?
The molecular formula of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine is C18H17N5O3.
What is the molecular weight of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine?
The molecular weight of 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine is 351.13315 g/mol.
Where can I buy 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine?
You can request a quote for 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(Indolyl-2-carbonyl)-4-(3-nitro-2-pyridyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.