TL;DR: 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol (CAS 488099-94-1) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol
Also Known As: 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol, 3-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino]propan-1-ol
| Molecular Formula | C21H20N4OS |
| Molecular Weight | 376.13577 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.13577 Da |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
| SMILES | C1CC2=C(C1)C(=NC3=C2C4=C(S3)C(=NC=N4)NCCCO)C5=CC=CC=C5 |
| InChIKey | YKGPAPXODROTGF-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol. Following Lipinski's Rule of Five, 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol is 488099-94-1.
The molecular formula of 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol is C21H20N4OS.
The molecular weight of 3-((4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)propan-1-ol is 376.13577 g/mol.
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