TL;DR: KB 130015 (CAS 147030-48-6) is a chemical compound with molecular formula C18H14I2O4 and molecular weight 547.89813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid
Also Known As: KB 130015, 2-methyl-3-(3,5-diiodo-4-carboxymethoxybenzyl)benzofuran, SID:87692422, J1.704.759K, Acetic acid, 2-[2,6-diiodo-4-[(2-methyl-3-benzofuranyl)methyl]phenoxy]-
| Molecular Formula | C18H14I2O4 |
| Molecular Weight | 547.89813 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.89813 Da |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
| SMILES | CC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCC(=O)O)I |
| InChIKey | OLIKCJUMYWSDIV-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that KB 130015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, KB 130015 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KB 130015 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of KB 130015 is 147030-48-6.
The molecular formula of KB 130015 is C18H14I2O4.
The molecular weight of KB 130015 is 547.89813 g/mol.
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