TL;DR: BRN 5634719 (CAS 108097-98-9) is a chemical compound with molecular formula C17H12N4O5 and molecular weight 352.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
Also Known As: Benzoic acid, 2-((((1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-, 2-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid, T0500-4204, 2-((((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)benzoic acid, 2-[[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]acetyl]amino]benzoic acid
| Molecular Formula | C17H12N4O5 |
| Molecular Weight | 352.08078 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.08078 Da |
| Heavy Atoms | 26 |
| Complexity | 596.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C(=O)NC3=CC=CC=C3C(=O)O |
| InChIKey | APTNRNXOYJHGKQ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that BRN 5634719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting BRN 5634719 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 5634719 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BRN 5634719 is 108097-98-9.
The molecular formula of BRN 5634719 is C17H12N4O5.
The molecular weight of BRN 5634719 is 352.08078 g/mol.
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