TL;DR: 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one (CAS 333307-81-6) is a chemical compound with molecular formula C19H18ClNO3 and molecular weight 343.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-2-hydroxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Also Known As: BAS 02101714, 3-[(5-chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one, AB00102256-01, 3-(5-Chloro-2-hydroxy-phenylamino)-5-(4-methoxy-phenyl)-cyclohex-2-enone, 3-(5-chloro-2-hydroxyanilino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
| Molecular Formula | C19H18ClNO3 |
| Molecular Weight | 343.09753 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.09753 Da |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
| SMILES | COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=C(C=CC(=C3)Cl)O |
| InChIKey | PGOYVGRPVNBELQ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one has 2 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 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one is 333307-81-6.
The molecular formula of 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one is C19H18ClNO3.
The molecular weight of 3-[(5-Chloro-2-hydroxyphenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one is 343.09753 g/mol.
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