TL;DR: RefChem:377426 (CAS 104964-50-3) is a chemical compound with molecular formula C23H29ClN8O3 and molecular weight 500.2051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;hydrochloride
Also Known As: Pyrido(4,3-d)pyrimidin-5(6H)-one, 7,8-dihydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-6-ethyl-, hydrochloride, 2-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one--hydrogen chloride (1/1), 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one hydrochloride
| Molecular Formula | C23H29ClN8O3 |
| Molecular Weight | 500.2051 g/mol |
| XLogP | 1.7858 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.2051 Da |
| Heavy Atoms | 35 |
| Complexity | 708.0 |
| SMILES | CCN1CCC2=NC(=NC=C2C1=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC.Cl |
| InChIKey | ZAWQZCJSDDKMOV-UHFFFAOYSA-N |
The XLogP value of 1.7858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377426. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377426. Following Lipinski's Rule of Five, RefChem:377426 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:377426 is 104964-50-3.
The molecular formula of RefChem:377426 is C23H29ClN8O3.
The molecular weight of RefChem:377426 is 500.2051 g/mol.
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