TL;DR: 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride (CAS 111218-74-7) is a chemical compound with molecular formula C17H16Br2ClN5O2 and molecular weight 514.9359 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-amino-6,8-dibromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
Also Known As: 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride, Piperazine, 1-(4-amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)-, monohydrochloride, 6-bromo-2-[4-(2-furoyl)-1-piperazinyl]-4-quinazolinylamine, [4-(4-amino-6,8-dibromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride, 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride
| Molecular Formula | C17H16Br2ClN5O2 |
| Molecular Weight | 514.9359 g/mol |
| XLogP | 3.7142 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.9359 Da |
| Heavy Atoms | 27 |
| Complexity | 519.0 |
| SMILES | C1CN(CCN1C2=NC3=C(C=C(C=C3Br)Br)C(=N2)N)C(=O)C4=CC=CO4.Cl |
| InChIKey | MQRZVBWLTDCEQZ-UHFFFAOYSA-N |
The XLogP value of 3.7142 indicates that 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride. Following Lipinski's Rule of Five, 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride is 111218-74-7.
The molecular formula of 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride is C17H16Br2ClN5O2.
The molecular weight of 1-(4-Amino-6,8-dibromo-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride is 514.9359 g/mol.
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