TL;DR: [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CAS 347313-62-6) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
Also Known As: [4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone, 4-(6-chloro-2-nitrophenyl)piperazinyl 3-methylphenyl ketone, 1-(2-CHLORO-6-NITROPHENYL)-4-(3-METHYLBENZOYL)PIPERAZINE, [4-(2-chloro-6-nitrophenyl)piperazin-1-yl](3-methylphenyl)methanone
| Molecular Formula | C18H18ClN3O3 |
| Molecular Weight | 359.10367 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.10367 Da |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-] |
| InChIKey | JXBUBZWEJIPGTJ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone. Following Lipinski's Rule of Five, [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is 347313-62-6.
The molecular formula of [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is C18H18ClN3O3.
The molecular weight of [4-(2-Chloro-6-nitrophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is 359.10367 g/mol.
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