2,3-Dicyano-5-methyl-6-phenylpyrazine
TL;DR: 2,3-Dicyano-5-methyl-6-phenylpyrazine (CAS 52109-67-8) is a chemical compound with molecular formula C13H8N4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-phenylpyrazine-2,3-dicarbonitrile
Also Known As: 2,3-Dicyano-5-methyl-6-phenylpyrazine, 5-methyl-6-phenylpyrazine-2,3-dicarbonitrile, 2,3-Dicyano-6-methyl-5-phenylpyrazine, 5-Methyl-6-phenyl-2,3-pyrazinedicarbonitrile, 2,3-Pyrazinedicarbonitrile, 5-methyl-6-phenyl-
| Molecular Formula | C13H8N4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07489 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 52109-67-8 |
|---|---|
| SMILES | CC1=C(N=C(C(=N1)C#N)C#N)C2=CC=CC=C2 |
| InChIKey | YKYXESCSPXPMKE-UHFFFAOYSA-N |
Product Overview
2,3-Dicyano-5-methyl-6-phenylpyrazine (CAS 52109-67-8), with molecular formula C13H8N4 and molecular weight 220.07 g/mol. IUPAC: 5-methyl-6-phenylpyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Dicyano-5-methyl-6-phenylpyrazine
Property Insights of 2,3-Dicyano-5-methyl-6-phenylpyrazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dicyano-5-methyl-6-phenylpyrazine. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dicyano-5-methyl-6-phenylpyrazine. Following Lipinski's Rule of Five, 2,3-Dicyano-5-methyl-6-phenylpyrazine has 0 hydrogen bond donor(s) and 4 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 2,3-Dicyano-5-methyl-6-phenylpyrazine?
The CAS number of 2,3-Dicyano-5-methyl-6-phenylpyrazine is 52109-67-8.
What is the molecular formula of 2,3-Dicyano-5-methyl-6-phenylpyrazine?
The molecular formula of 2,3-Dicyano-5-methyl-6-phenylpyrazine is C13H8N4.
What is the molecular weight of 2,3-Dicyano-5-methyl-6-phenylpyrazine?
The molecular weight of 2,3-Dicyano-5-methyl-6-phenylpyrazine is 220.07 g/mol.
Where can I buy 2,3-Dicyano-5-methyl-6-phenylpyrazine?
You can request a quote for 2,3-Dicyano-5-methyl-6-phenylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dicyano-5-methyl-6-phenylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dicyano-5-methyl-6-phenylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.