1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine
TL;DR: 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine (CAS 331845-94-4) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
Also Known As: 1-{2-Nitrobenzoyl}, BAS 00623737, 1-{2-nitrobenzoyl}-4-(2-methoxyphenyl)piperazine, 1-(2-METHOXYPHENYL)-4-(2-NITROBENZOYL)PIPERAZINE, 4-(2-methoxyphenyl)piperazinyl 2-nitrophenyl ketone
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 331845-94-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | FTTSWYYELKOFGI-UHFFFAOYSA-N |
Product Overview
1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine (CAS 331845-94-4), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: [4-(2-methoxyphenyl)piperazin-1-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine
Property Insights of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine. Following Lipinski's Rule of Five, 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine has 0 hydrogen bond donor(s) and 5 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-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine?
The CAS number of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine is 331845-94-4.
What is the molecular formula of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine?
The molecular formula of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine is C18H19N3O4.
What is the molecular weight of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine?
The molecular weight of 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine is 341.14 g/mol.
Where can I buy 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine?
You can request a quote for 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-Nitrobenzoyl}-4-(2-methoxyphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.