TL;DR: AN-329/41583743 (CAS 497090-28-5) is a chemical compound with molecular formula C21H21BrN4O3 and molecular weight 456.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-4-(3-methylbutanoylamino)benzamide
Also Known As: AN-329/41583743, N-(4-{[2-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]carbonyl}phenyl)-3-methylbutanamide, N-[4-[[(6-bromo-5-methyl-2-oxoindol-3-yl)amino]carbamoyl]phenyl]-3-methylbutanamide, N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-4-(3-methylbutanoylamino)benzamide, N-(4-{[(2E)-2-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]carbonyl}phenyl)-3-methylbutanamide
| Molecular Formula | C21H21BrN4O3 |
| Molecular Weight | 456.0797 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0797 Da |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
| SMILES | CC1=CC2=C(C=C1Br)NC(=C2N=NC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C)O |
| InChIKey | FQIANDVNTXVKRA-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that AN-329/41583743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41583743. Following Lipinski's Rule of Five, AN-329/41583743 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AN-329/41583743 is 497090-28-5.
The molecular formula of AN-329/41583743 is C21H21BrN4O3.
The molecular weight of AN-329/41583743 is 456.0797 g/mol.
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