6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 221178-83-2) is a chemical compound with molecular formula C13H8N4OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Also Known As: J1.552.021C, AE-848/32310047, 2-AMINO-4-(4-HYDROXYPHENYL)-6-SULFANYLPYRIDINE-3,5-DICARBONITRILE, 2-amino-4-(4-hydroxyphenyl)-6-mercaptopyridine-3,5-dicarbonitrile, 6-amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C13H8N4OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 2.44235 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.04187 |
| Heavy Atoms | 19 |
| Complexity | 778.50635 |
Chemical Identifiers
| CAS Number | 221178-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=S)NC(=C2C#N)N)C#N)O |
Product Overview
6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 221178-83-2), with molecular formula C13H8N4OS and molecular weight 268.04 g/mol. IUPAC: 2-amino-4-(4-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 2.44235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile has 3 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 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 221178-83-2.
What is the molecular formula of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is C13H8N4OS.
What is the molecular weight of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 268.04 g/mol.
Where can I buy 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.