![2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid structure](/static/products/4453/445391-28-6.webp)
2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid
TL;DR: 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid (CAS 445391-28-6) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]propanoic acid
Also Known As: Verinurad Impurity7, ChemDiv3_005680, CBKinase1_008342, CBKinase1_020742, 2-[(5-cyano-2,3'-bipyridin-6-yl)thio]propanoic acid
| Molecular Formula | C14H11N3O2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.58048 |
| Topological Polar Surface Area | 86.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0572 |
| Heavy Atoms | 20 |
| Complexity | 667.8644 |
Chemical Identifiers
| CAS Number | 445391-28-6 |
|---|---|
| SMILES | CC(C(=O)O)SC1=C(C=CC(=N1)C2=CN=CC=C2)C#N |
Product Overview
2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid (CAS 445391-28-6), with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol. IUPAC: 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]propanoic acid.
Chemical Property Profile of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid
Property Insights of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid
The XLogP value of 2.58048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid. The TPSA of 86.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid. Following Lipinski's Rule of Five, 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid has 1 hydrogen bond donor(s) and 5 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 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid?
The CAS number of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid is 445391-28-6.
What is the molecular formula of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid?
The molecular formula of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid is C14H11N3O2S.
What is the molecular weight of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid?
The molecular weight of 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid is 285.06 g/mol.
Where can I buy 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid?
You can request a quote for 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Cyano-2,3'-bipyridin-6-yl)thio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.