TL;DR: SC 49648 (CAS 15332-58-8) is a chemical compound with molecular formula C11H8ClNO4 and molecular weight 253.01419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(carboxymethyl)-6-chloro-1H-indole-2-carboxylic acid
Also Known As: 3-(carboxymethyl)-6-chloro-1H-indole-2-carboxylic acid, SC 49648, 1h-indole-3-acetic acid, 2-carboxy-6-chloro-, 2-carboxy-6-chloro-3-indoleacetic acid, 2-(2-Carboxy-6-chloroindol-3-yl)acetic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H8ClNO4 |
| Molecular Weight | 253.01419 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.01419 Da |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
| SMILES | C1=CC2=C(C=C1Cl)NC(=C2CC(=O)O)C(=O)O |
| InChIKey | GTVJSFUJLMFZCQ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SC 49648. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for SC 49648. Following Lipinski's Rule of Five, SC 49648 has 3 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 SC 49648 is 15332-58-8.
The molecular formula of SC 49648 is C11H8ClNO4.
The molecular weight of SC 49648 is 253.01419 g/mol.
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