TL;DR: DROXINAVIR (CAS 159910-86-8) is a chemical compound with molecular formula C29H51N5O4 and molecular weight 533.3941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
Also Known As: SC 55389A, (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide, N-Methylglycyl-N-{(2R,3S)-4-[(tert-butylcarbamoyl)(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-methyl-D-valinamide
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C29H51N5O4 |
| Molecular Weight | 533.3941 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 533.3941 Da |
| Heavy Atoms | 38 |
| Complexity | 738.0 |
| SMILES | CC(C)CCN(C[C@@H]([C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C(C)(C)C)NC(=O)CNC)O)C(=O)NC(C)(C)C |
| InChIKey | ICOKEKQSBZSLIB-CUYJMHBOSA-N |
The XLogP value of 3.7 indicates that DROXINAVIR is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DROXINAVIR. Following Lipinski's Rule of Five, DROXINAVIR has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DROXINAVIR is 159910-86-8.
The molecular formula of DROXINAVIR is C29H51N5O4.
The molecular weight of DROXINAVIR is 533.3941 g/mol.
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