TL;DR: Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- (CAS 120354-28-1) is a chemical compound with molecular formula C19H15N3OS and molecular weight 333.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-benzyl-5-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)-, 3-Amino-5-phenyl-2-(phenylmethyl)thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-benzyl-5-phenylthieno[2,3-d]pyrimidin-4-one, 3-Amino-2-benzyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, BRN 5982449
| Molecular Formula | C19H15N3OS |
| Molecular Weight | 333.0936 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0936 Da |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
| SMILES | C1=CC=C(C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N |
| InChIKey | LOZJWPIFPRGRAA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)-. Following Lipinski's Rule of Five, Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- has 1 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 Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- is 120354-28-1.
The molecular formula of Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- is C19H15N3OS.
The molecular weight of Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-5-phenyl-2-(phenylmethyl)- is 333.0936 g/mol.
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