TL;DR: 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole (CAS 142356-56-7) is a chemical compound with molecular formula C12H11ClI2N2O4 and molecular weight 535.8497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-(2-chloro-5,6-diiodobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole, 2-Chloro-5,6-diiodo-1-.beta.-D-ribofuranosylbenzimidazole, 2-Chloro-5,6-diiodo-1-I(2)-D-ribofuranosyl-1H-benzimidazole, (2R,3R,4S,5R)-2-(2-chloro-5,6-diiodo-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(2-chloro-5,6-diiodo-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11ClI2N2O4 |
| Molecular Weight | 535.8497 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 535.8497 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | C1=C2C(=CC(=C1I)I)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | UYDOZJZIXQSULU-GWOFURMSSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole is 142356-56-7.
The molecular formula of 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole is C12H11ClI2N2O4.
The molecular weight of 2-Chloro-5,6-diiodo-1-beta-D-ribofuranosyl-1H-benzimidazole is 535.8497 g/mol.
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