TL;DR: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester (CAS 131448-09-4) is a chemical compound with molecular formula C24H21N3O4 and molecular weight 415.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
Also Known As: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester, ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate, Ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate, BRN 3573979
| Molecular Formula | C24H21N3O4 |
| Molecular Weight | 415.1532 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1532 Da |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
| SMILES | CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | QHEGLSBAXUWAHE-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester. Following Lipinski's Rule of Five, Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester 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 Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester is 131448-09-4.
The molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester is C24H21N3O4.
The molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester is 415.1532 g/mol.
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