1-(4-Nitrobenzoyl)-4-phenylpiperazine
TL;DR: 1-(4-Nitrobenzoyl)-4-phenylpiperazine (CAS 21091-97-4) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone
Also Known As: 1-(4-nitrobenzoyl)-4-phenylpiperazine, 4-nitrophenyl 4-phenylpiperazinyl ketone, BAS 00500773, (4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone, (4-Nitro-phenyl)-(4-phenyl-piperazin-1-yl)-methanone
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 21091-97-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | OQPUARQQOANSOB-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzoyl)-4-phenylpiperazine (CAS 21091-97-4), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: (4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(4-Nitrobenzoyl)-4-phenylpiperazine
Property Insights of 1-(4-Nitrobenzoyl)-4-phenylpiperazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzoyl)-4-phenylpiperazine. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzoyl)-4-phenylpiperazine. Following Lipinski's Rule of Five, 1-(4-Nitrobenzoyl)-4-phenylpiperazine has 0 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-(4-Nitrobenzoyl)-4-phenylpiperazine?
The CAS number of 1-(4-Nitrobenzoyl)-4-phenylpiperazine is 21091-97-4.
What is the molecular formula of 1-(4-Nitrobenzoyl)-4-phenylpiperazine?
The molecular formula of 1-(4-Nitrobenzoyl)-4-phenylpiperazine is C17H17N3O3.
What is the molecular weight of 1-(4-Nitrobenzoyl)-4-phenylpiperazine?
The molecular weight of 1-(4-Nitrobenzoyl)-4-phenylpiperazine is 311.13 g/mol.
Where can I buy 1-(4-Nitrobenzoyl)-4-phenylpiperazine?
You can request a quote for 1-(4-Nitrobenzoyl)-4-phenylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzoyl)-4-phenylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzoyl)-4-phenylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.