TL;DR: BRN 3640258 (CAS 127786-25-8) is a chemical compound with molecular formula C28H21N7O4 and molecular weight 519.1655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[(2E)-4-oxo-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-1H-quinazolin-3-yl]furan-2-carboximidamide
Also Known As: Benzoic acid, 4-((2-furanyl((2-(2-(2-hydroxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)imino)methyl)azo)-, hydrazide
| Molecular Formula | C28H21N7O4 |
| Molecular Weight | 519.1655 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1655 Da |
| Heavy Atoms | 39 |
| Complexity | 1150.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C/3\C=CC=CC3=O)/N2)/N=C(/C4=CC=CO4)\N=NC5=CC=C(C=C5)C(=O)NN |
| InChIKey | FBHZUISVECNHQY-MWPRDGFISA-N |
The XLogP value of 4.6 indicates that BRN 3640258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting BRN 3640258 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 3640258 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BRN 3640258 is 127786-25-8.
The molecular formula of BRN 3640258 is C28H21N7O4.
The molecular weight of BRN 3640258 is 519.1655 g/mol.
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