TL;DR: Zankiren hydrochloride (CAS 138742-43-5) is a chemical compound with molecular formula C35H55N5O6S2 and molecular weight 705.3594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-benzyl-N-[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
Also Known As: Zankiren hydrochloride, (2S)-2-benzyl-N-[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide, (2S)-N-[1-[[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenylpropanamide
| Molecular Formula | C35H55N5O6S2 |
| Molecular Weight | 705.3594 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 705.3594 Da |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
| SMILES | CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)C(CC2=CSC=N2)NC(=O)[C@H](CC3=CC=CC=C3)CS(=O)(=O)N4CCN(CC4)C)O)O |
| InChIKey | YFDSDRDMDDGDFC-CDBRBZLLSA-N |
The XLogP value of 4.6 indicates that Zankiren hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Zankiren hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zankiren hydrochloride has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Zankiren hydrochloride is 138742-43-5.
The molecular formula of Zankiren hydrochloride is C35H55N5O6S2.
The molecular weight of Zankiren hydrochloride is 705.3594 g/mol.
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