![6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile structure](/static/products/6913/691396-45-9.webp)
6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
TL;DR: 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-45-9) is a chemical compound with molecular formula C24H18N8O and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C24H18N8O |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 3.36746 |
| Topological Polar Surface Area | 131.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.16037 |
| Heavy Atoms | 33 |
| Complexity | 1613.5911 |
Chemical Identifiers
| CAS Number | 691396-45-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)OC)N |
Product Overview
6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-45-9), with molecular formula C24H18N8O and molecular weight 434.16 g/mol. IUPAC: 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Property Insights of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
The XLogP value of 3.36746 indicates that 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-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 131.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The CAS number of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 691396-45-9.
What is the molecular formula of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular formula of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is C24H18N8O.
What is the molecular weight of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular weight of 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 434.16 g/mol.
Where can I buy 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
You can request a quote for 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-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-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-[(4-methoxyphenyl)methyl]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.