TL;DR: 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- (CAS 110011-79-5) is a chemical compound with molecular formula C16H10INO3S and molecular weight 422.9426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-amino-4-iodofluoranthene-3-sulfonic acid
Also Known As: 9-amino-4-iodofluoranthene-3-sulfonic acid, 3-Fluoranthenesulfonic acid, 9-amino-4-iodo-, 9-Amino-4-iodo-3-fluoranthenesulfonic acid, 3-Fluoranthenesulfonicacid, 9-amino-4-iodo-, 3-Fluoranthenesulfonicacid,9-amino-4-iodo
| Molecular Formula | C16H10INO3S |
| Molecular Weight | 422.9426 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.9426 Da |
| Heavy Atoms | 22 |
| Complexity | 548.0 |
| SMILES | C1=CC2=C(C=C1N)C3=C4C2=CC=C(C4=C(C=C3)S(=O)(=O)O)I |
| InChIKey | ULTHZQPBUATVHD-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoranthenesulfonic acid, 9-amino-4-iodo-. Following Lipinski's Rule of Five, 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- is 110011-79-5.
The molecular formula of 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- is C16H10INO3S.
The molecular weight of 3-Fluoranthenesulfonic acid, 9-amino-4-iodo- is 422.9426 g/mol.
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