Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-
TL;DR: Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- (CAS 91028-38-5) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)pyrazine-2-carbonitrile
Also Known As: 5-(3,4-dimethoxyphenyl)pyrazine-2-carbonitrile, Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-, 5-(3,4-dimethoxyphenyl)-2-pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)pyrazine-2-dicarbonitrile, AQ-917/42754622
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.03248 |
| Topological Polar Surface Area | 68.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 588.1756 |
Chemical Identifiers
| CAS Number | 91028-38-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC=C(N=C2)C#N)OC |
Product Overview
Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- (CAS 91028-38-5), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)pyrazine-2-carbonitrile.
Chemical Property Profile of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-
Property Insights of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-
The XLogP value of 2.03248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-. The TPSA of 68.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-. Following Lipinski's Rule of Five, Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- has 0 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 Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-?
The CAS number of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- is 91028-38-5.
What is the molecular formula of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-?
The molecular formula of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- is C13H11N3O2.
What is the molecular weight of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-?
The molecular weight of Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- is 241.09 g/mol.
Where can I buy Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-?
You can request a quote for Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazinecarbonitrile, 5-(3,4-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.