3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid
TL;DR: 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid (CAS 100283-52-1) is a chemical compound with molecular formula C12H7N3O2S and molecular weight 257.0259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylic acid, 3-(benzo[d]thiazol-2-yl)pyrazine-2-carboxylic acid, 3-benzothiazol-2-ylpyrazine-2-carboxylic Acid, L-2531, AB00740212-01
Technical Specifications
| Molecular Formula | C12H7N3O2S |
| Molecular Weight | 257.0259 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0259 Da |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)O |
| InChIKey | USRGJJFGYCZTPY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid
Property Insights of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid?
The CAS number of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid is 100283-52-1.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid is C12H7N3O2S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid is 257.0259 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.