TL;DR: 3-methylquinoline-8-sulfinic Acid (CAS 1515961-07-5) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylquinoline-8-sulfinic acid
Also Known As: 3-methylquinoline-8-sulfinic Acid, Argatroban Impurity 109, 3-methylquinoline-8-sulfinicAcid
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.0354 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | CC1=CC2=C(C(=CC=C2)S(=O)O)N=C1 |
| InChIKey | RLCYUBNINIQLBX-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylquinoline-8-sulfinic Acid. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylquinoline-8-sulfinic Acid. Following Lipinski's Rule of Five, 3-methylquinoline-8-sulfinic Acid has 1 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-methylquinoline-8-sulfinic Acid is 1515961-07-5.
The molecular formula of 3-methylquinoline-8-sulfinic Acid is C10H9NO2S.
The molecular weight of 3-methylquinoline-8-sulfinic Acid is 207.0354 g/mol.
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