TL;DR: Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride (CAS 122001-64-3) is a chemical compound with molecular formula C27H26Cl3N5O5S and molecular weight 637.072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]ethanone;hydrochloride
Also Known As: Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride, 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]ethanone hydrochloride, 2-[2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy]-1-[4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C27H26Cl3N5O5S |
| Molecular Weight | 637.072 g/mol |
| XLogP | 4.9779 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 637.072 Da |
| Heavy Atoms | 41 |
| Complexity | 886.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)COC4=C(C(=C(C=C4)C(=O)C5=CC=CS5)Cl)Cl)N)OC.Cl |
| InChIKey | ZEUMMQFIYNGZCA-UHFFFAOYSA-N |
The XLogP value of 4.9779 indicates that Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride is 122001-64-3.
The molecular formula of Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride is C27H26Cl3N5O5S.
The molecular weight of Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride is 637.072 g/mol.
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