5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid (CAS 1038539-94-4) is a chemical compound with molecular formula C12H8N2O2S and molecular weight 244.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
Also Known As: 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid, 5-benzothiophen-2-yl-1H-pyrazole-3-carboxylic Acid, 5-(Benzo[b]thiophen-2-yl)-1H-pyrazole-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C12H8N2O2S |
| Molecular Weight | 244.03065 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.03065 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC(=NN3)C(=O)O |
| InChIKey | RYZLHXKNCMXYKX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is 1038539-94-4.
What is the molecular formula of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is C12H8N2O2S.
What is the molecular weight of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is 244.03065 g/mol.
Where can I buy 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.