TL;DR: [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate (CAS 1002664-37-0) is a chemical compound with molecular formula C15H11Cl2NO4 and molecular weight 339.0065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxycarbonylphenyl)methyl 3,6-dichloropyridine-2-carboxylate
Also Known As: [4-(methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate|(4-methoxycarbonylphenyl)methyl 3,6-dichloropyridine-2-carboxylate|EN300-26580545|Z16552017
| Molecular Formula | C15H11Cl2NO4 |
| Molecular Weight | 339.0065 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.0065 Da |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=N2)Cl)Cl |
| InChIKey | GDMBRQNLMXBNSU-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate is 1002664-37-0.
The molecular formula of [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate is C15H11Cl2NO4.
The molecular weight of [4-(Methoxycarbonyl)phenyl]methyl 3,6-dichloropyridine-2-carboxylate is 339.0065 g/mol.
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