TL;DR: 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid (CAS 123748-56-1) is a chemical compound with molecular formula C22H35IO2 and molecular weight 454.1693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-(4-iodophenyl)-3-methylpentadecanoic acid
Also Known As: Zemiva, Iodofiltic acid I 123, Iodofiltic acid (123I), BMIPP, Iodofiltic acid I-123
| Molecular Formula | C22H35IO2 |
| Molecular Weight | 454.1693 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 454.1693 Da |
| Heavy Atoms | 25 |
| Complexity | 324.0 |
| SMILES | CC(CCCCCCCCCCCCC1=CC=C(C=C1)[123I])CC(=O)O |
| InChIKey | NPCIWINHUDIWAV-NSYCNWAXSA-N |
The XLogP value of 9.1 indicates that 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid is 123748-56-1.
The molecular formula of 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid is C22H35IO2.
The molecular weight of 4-(Iodo-123I)-beta-methylbenzenepentadecanoic acid is 454.1693 g/mol.
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