TL;DR: Brl 39924A (CAS 131221-62-0) is a chemical compound with molecular formula C34H63I2N3O2 and molecular weight 799.30096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]pentanamide diiodide
Also Known As: Brl 39924A, Brl-39924A, SID:164026942, (4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]pentanamide;diiodide, (4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]pentanamide diiodide
| Molecular Formula | C34H63I2N3O2 |
| Molecular Weight | 799.30096 g/mol |
| XLogP | -0.5266 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 799.30096 Da |
| Heavy Atoms | 41 |
| Complexity | 865.0 |
| SMILES | C[C@H](CCC(=O)NCCC[N+]1(CC[N+](CC1)(C)C)C)[C@H]2CCC3[C@@]2(CCC4C3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C.[I-].[I-] |
| InChIKey | APFOLQPXZRHTLE-YGSHSALASA-M |
The XLogP value of -0.5266 indicates that Brl 39924A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, Brl 39924A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 39924A has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Brl 39924A is 131221-62-0.
The molecular formula of Brl 39924A is C34H63I2N3O2.
The molecular weight of Brl 39924A is 799.30096 g/mol.
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