![3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid structure](/static/products/313/313649-56-8.png)
3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid
TL;DR: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid (CAS 313649-56-8) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid
Also Known As: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid, 3-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)pyrazine-2-carboxylic acid, 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic Acid
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.23908 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 837.7329 |
Chemical Identifiers
| CAS Number | 313649-56-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3C(=O)O)C#N |
Product Overview
3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid (CAS 313649-56-8), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid.
Chemical Property Profile of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid
Property Insights of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid
The XLogP value of 2.23908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The CAS number of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid is 313649-56-8.
What is the molecular formula of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The molecular formula of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid is C15H12N4O3S.
What is the molecular weight of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The molecular weight of 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid is 328.06 g/mol.
Where can I buy 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
You can request a quote for 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.