TL;DR: Bila 2185BS (CAS 154612-58-5) is a chemical compound with molecular formula C35H46N4O4S and molecular weight 618.324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-pyridin-4-ylsulfanylpiperidine-2-carboxamide
Also Known As: BILA 2185BS, Palinavir deriv. 19, BILA 2185 BS, BILA-2185BS, (2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-pyridin-4-ylsulfanylpiperidine-2-carboxamide
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C35H46N4O4S |
| Molecular Weight | 618.324 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.324 Da |
| Heavy Atoms | 44 |
| Complexity | 878.0 |
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)SC4=CC=NC=C4)O |
| InChIKey | WVPSCZBMYQIZMS-QNRWOPMTSA-N |
The XLogP value of 5.5 indicates that Bila 2185BS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bila 2185BS. Following Lipinski's Rule of Five, Bila 2185BS has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bila 2185BS is 154612-58-5.
The molecular formula of Bila 2185BS is C35H46N4O4S.
The molecular weight of Bila 2185BS is 618.324 g/mol.
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