1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate
TL;DR: 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate (CAS 123824-01-1) is a chemical compound with molecular formula C19H22N4O9P2S and molecular weight 544.0583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenylmethanone;phosphoric acid
Also Known As: 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate, Methanone, (2-(((1-methyl-1H-imidazol-2-yl)thio)methyl)-1H-benzimidazol-5-yl)phenyl-, phosphate (1:2), [2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenylmethanone; phosphoric acid, Phosphoric acid--(2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,3-benzimidazol-6-yl)(phenyl)methanone (2/1)
Technical Specifications
| Molecular Formula | C19H22N4O9P2S |
| Molecular Weight | 544.0583 g/mol |
| XLogP | 1.9625 |
| Topological Polar Surface Area (TPSA) | 244.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.0583 Da |
| Heavy Atoms | 35 |
| Complexity | 520.0 |
| SMILES | CN1C=CN=C1SCC2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4.OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | ZNFDAYLFXRYPOY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate
Property Insights of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate
The XLogP value of 1.9625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate. The TPSA of 244.0 Ų indicates high polarity, suggesting 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate?
The CAS number of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate is 123824-01-1.
What is the molecular formula of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate?
The molecular formula of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate is C19H22N4O9P2S.
What is the molecular weight of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate?
The molecular weight of 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate is 544.0583 g/mol.
Where can I buy 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate?
You can request a quote for 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2-(2'-(5'-benzoyl)-benzimidazolylmethylthio)imidazole diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.