6-Methylpyrazine-2-carboxaldehyde
TL;DR: 6-Methylpyrazine-2-carboxaldehyde (CAS 116758-71-5) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 6-Methylpyrazine-2-carboxaldehyde, 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-, 2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-phenyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 2.3848 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1301.7723 |
Chemical Identifiers
| CAS Number | 116758-71-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=CC=C4)S2)OC |
Product Overview
6-Methylpyrazine-2-carboxaldehyde (CAS 116758-71-5), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
Chemical Property Profile of 6-Methylpyrazine-2-carboxaldehyde
Property Insights of 6-Methylpyrazine-2-carboxaldehyde
The XLogP value of 2.3848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylpyrazine-2-carboxaldehyde. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylpyrazine-2-carboxaldehyde. Following Lipinski's Rule of Five, 6-Methylpyrazine-2-carboxaldehyde has 0 hydrogen bond donor(s) and 8 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-Methylpyrazine-2-carboxaldehyde?
The CAS number of 6-Methylpyrazine-2-carboxaldehyde is 116758-71-5.
What is the molecular formula of 6-Methylpyrazine-2-carboxaldehyde?
The molecular formula of 6-Methylpyrazine-2-carboxaldehyde is C20H18N4O5S.
What is the molecular weight of 6-Methylpyrazine-2-carboxaldehyde?
The molecular weight of 6-Methylpyrazine-2-carboxaldehyde is 426.10 g/mol.
Where can I buy 6-Methylpyrazine-2-carboxaldehyde?
You can request a quote for 6-Methylpyrazine-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylpyrazine-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylpyrazine-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.