TL;DR: [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate (CAS 338967-11-6) is a chemical compound with molecular formula C20H15ClN2O4S and molecular weight 414.0441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[6-(4-chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate
Also Known As: [[6-(4-chlorophenyl)sulfinylpyridin-3-yl]methylideneamino] 4-methoxybenzoate, N-({6-[(4-chlorophenyl)sulfinyl]-3-pyridinyl}methylene)-N-[(4-methoxybenzoyl)oxy]amine
| Molecular Formula | C20H15ClN2O4S |
| Molecular Weight | 414.0441 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.0441 Da |
| Heavy Atoms | 28 |
| Complexity | 560.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)ON=CC2=CN=C(C=C2)S(=O)C3=CC=C(C=C3)Cl |
| InChIKey | QXXPQPYSXABNSV-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate. Following Lipinski's Rule of Five, [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate is 338967-11-6.
The molecular formula of [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate is C20H15ClN2O4S.
The molecular weight of [[6-(4-Chlorophenyl)sulfinyl-3-pyridinyl]methylideneamino] 4-methoxybenzoate is 414.0441 g/mol.
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