TL;DR: Iodobolpyramine (CAS 101395-43-1) is a chemical compound with molecular formula C30H39IN4O3 and molecular weight 628.20685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxy-3-(125I)iodophenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]pentyl]propanamide
Also Known As: Iodobolpyramine, Isoquinolinium, 2-[(decyloxy)methyl]-, chloride, Isoquinolinium, 2-[(hexyloxy)methyl]-, chloride, Isoquinolinium, 2-[(octyloxy)methyl]-, chloride, Phosphonium, [(octyloxy)methyl]triphenyl-, chloride
| Molecular Formula | C30H39IN4O3 |
| Molecular Weight | 628.20685 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 628.20685 Da |
| Heavy Atoms | 38 |
| Complexity | 649.0 |
| SMILES | CN(CCCCCNC(=O)CCC1=CC(=C(C=C1)O)[125I])CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=N3 |
| InChIKey | LOPFSGXLOHCWPI-DYSJZCPFSA-N |
The XLogP value of 5.8 indicates that Iodobolpyramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodobolpyramine. Following Lipinski's Rule of Five, Iodobolpyramine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Iodobolpyramine is 101395-43-1.
The molecular formula of Iodobolpyramine is C30H39IN4O3.
The molecular weight of Iodobolpyramine is 628.20685 g/mol.
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