TL;DR: 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime (CAS 1164462-18-3) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-3-nitrosoindol-2-ol
Also Known As: 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime, 1-[(4-chlorophenyl)methyl]-3-nitrosoindol-2-ol, 11F-393S, 1-[(4-chlorophenyl)methyl]-3-hydroxyiminoindol-2-one, (3Z)-1-[(4-chlorophenyl)methyl]-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
| Molecular Formula | C15H11ClN2O2 |
| Molecular Weight | 286.0509 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0509 Da |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2CC3=CC=C(C=C3)Cl)O)N=O |
| InChIKey | ZYKVVQSFNRWTTL-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime is 1164462-18-3.
The molecular formula of 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime is C15H11ClN2O2.
The molecular weight of 1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime is 286.0509 g/mol.
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