TL;DR: I-AB-Meca (CAS 152918-27-9) is a chemical compound with molecular formula C18H20IN7O4 and molecular weight 525.06213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4R,5R)-5-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Also Known As: I-AB-MECA, AB-MECA, I-AB-MECA, solid, IAB-MECA, [125I]AB-MECA
| Molecular Formula | C18H20IN7O4 |
| Molecular Weight | 525.06213 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.06213 Da |
| Heavy Atoms | 30 |
| Complexity | 619.0 |
| SMILES | CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=C(C=C4)N)I)O)O |
| InChIKey | LOGOEBMHHXYBID-MOROJQBDSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for I-AB-Meca. The TPSA of 160.0 Ų indicates high polarity, suggesting I-AB-Meca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I-AB-Meca has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of I-AB-Meca is 152918-27-9.
The molecular formula of I-AB-Meca is C18H20IN7O4.
The molecular weight of I-AB-Meca is 525.06213 g/mol.
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