![6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile structure](/static/products/6913/691396-41-5.webp)
6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
TL;DR: 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-41-5) is a chemical compound with molecular formula C24H18N8 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(1-methylbenzimidazol-2-yl)-5-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(1-methylbenzimidazol-2-yl)-5-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C24H18N8 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 3.66728 |
| Topological Polar Surface Area | 122.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.16544 |
| Heavy Atoms | 32 |
| Complexity | 1590.3733 |
Chemical Identifiers
| CAS Number | 691396-41-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5N4C)N |
Product Overview
6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-41-5), with molecular formula C24H18N8 and molecular weight 418.17 g/mol. IUPAC: 6-amino-7-(1-methylbenzimidazol-2-yl)-5-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Property Insights of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
The XLogP value of 3.66728 indicates that 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has 1 hydrogen bond donor(s) and 6 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-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The CAS number of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 691396-41-5.
What is the molecular formula of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular formula of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is C24H18N8.
What is the molecular weight of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular weight of 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 418.17 g/mol.
Where can I buy 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
You can request a quote for 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-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-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[(4-methylphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.