TL;DR: Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- (CAS 134999-89-6) is a chemical compound with molecular formula C19H21N3O and molecular weight 307.16846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-tert-butylphenyl)ethoxy]pyrido[2,3-d]pyrimidine
Also Known As: Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-, 4-[2-(4-tert-butylphenyl)ethoxy]pyrido[2,3-d]pyrimidine, Pyrido(2,3-d)pyrimidine, 4-(2-(4-(1,1-dimethylethyl)phenyl)ethoxy)-, 4-[2-[4-(t-butyl)phenyl]ethoxy]pyrido[2,3-d]pyrimidine, 10-[2-(4-tert-butylphenyl)ethoxy]-5,7,9-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaene
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H21N3O |
| Molecular Weight | 307.16846 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.16846 Da |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=N3 |
| InChIKey | ZGYFEUNXDPAHGQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- has 0 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 Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- is 134999-89-6.
The molecular formula of Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- is C19H21N3O.
The molecular weight of Pyrido[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- is 307.16846 g/mol.
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