![2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate structure](/static/products/6805/680579-29-7.webp)
2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate
TL;DR: 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate (CAS 680579-29-7) is a chemical compound with molecular formula C13H10Cl2N4OS and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,4-dichloro-5-methylphenyl)sulfanylmethyl]-4-hydroxy-3-iminopyrazine-2-carbonitrile
Also Known As: 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate, 6-[(2,4-dichloro-5-methylphenyl)sulfanylmethyl]-4-hydroxy-3-iminopyrazine-2-carbonitrile, 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)sulfanyl]methyl}pyrazin-1-ium-1-olate, 6-{[(2,4-Dichloro-5-methylphenyl)sulfanyl]methyl}-4-hydroxy-3-imino-3,4-dihydropyrazine-2-carbonitrile
| Molecular Formula | C13H10Cl2N4OS |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | 3.37907 |
| Topological Polar Surface Area | 85.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.99524 |
| Heavy Atoms | 21 |
| Complexity | 797.979 |
Chemical Identifiers
| CAS Number | 680579-29-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)Cl)SCC2=CN(C(=N)C(=N2)C#N)O |
Product Overview
2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate (CAS 680579-29-7), with molecular formula C13H10Cl2N4OS and molecular weight 340.00 g/mol. IUPAC: 6-[(2,4-dichloro-5-methylphenyl)sulfanylmethyl]-4-hydroxy-3-iminopyrazine-2-carbonitrile.
Chemical Property Profile of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate
Property Insights of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate
The XLogP value of 3.37907 indicates that 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate. Following Lipinski's Rule of Five, 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate has 2 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-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate?
The CAS number of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate is 680579-29-7.
What is the molecular formula of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate?
The molecular formula of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate is C13H10Cl2N4OS.
What is the molecular weight of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate?
The molecular weight of 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate is 340.00 g/mol.
Where can I buy 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate?
You can request a quote for 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3-cyano-5-{[(2,4-dichloro-5-methylphenyl)thio]methyl}pyrazin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.