TL;DR: Remikiren (CAS 1262229-35-5) is a chemical compound with molecular formula C33H50N4O6S and molecular weight 630.3451 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-benzyl-3-tert-butylsulfonyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide
Also Known As: Remikiren, remikirene, remikireno, remikirenum, Remikiren [INN]
| Molecular Formula | C33H50N4O6S |
| Molecular Weight | 630.3451 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 630.3451 Da |
| Heavy Atoms | 44 |
| Complexity | 1030.0 |
| SMILES | CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O |
| InChIKey | UXIGZRQVLGFTOU-VQXQMPIVSA-N |
The XLogP value of 4.0 indicates that Remikiren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Remikiren may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Remikiren has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Remikiren is 1262229-35-5.
The molecular formula of Remikiren is C33H50N4O6S.
The molecular weight of Remikiren is 630.3451 g/mol.
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