TL;DR: 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 497072-05-6) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
Also Known As: 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine, 7-(2-methoxyphenyl)-4-(methylthio)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine, F0548-0318, 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
| Molecular Formula | C20H17N3OS |
| Molecular Weight | 347.10922 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.10922 Da |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
| SMILES | COC1=CC=CC=C1N2C=C(C3=C2N=CN=C3SC)C4=CC=CC=C4 |
| InChIKey | SNPBDIVHMUAVNX-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine 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 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is 497072-05-6.
The molecular formula of 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is C20H17N3OS.
The molecular weight of 7-(2-methoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is 347.10922 g/mol.
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