![5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile structure](/static/products/3028/302804-29-1.webp)
5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile
TL;DR: 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile (CAS 302804-29-1) is a chemical compound with molecular formula C22H12N8O and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(furan-2-ylmethyl)-12-methyl-4,7,9,11,13,20-hexazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14,16,18-nonaene-5,6-dicarbonitrile
Also Known As: 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile, 9-(furan-2-ylmethyl)-12-methyl-4,7,9,11,13,20-hexazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14,16,18-nonaene-5,6-dicarbonitrile, 9-[(furan-2-yl)methyl]-12-methyl-4,7,9,11,13,20-hexaazapentacyclo[11.7.0.0^{2,10}.0^{3,8}.0^{14,19}]icosa-1(20),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,6-dicarbonitrile
| Molecular Formula | C22H12N8O |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.47348 |
| Topological Polar Surface Area | 121.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.1134 |
| Heavy Atoms | 31 |
| Complexity | 1742.5176 |
Chemical Identifiers
| CAS Number | 302804-29-1 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC(=C(N=C3N2CC4=CC=CO4)C#N)C#N)C5=NC6=CC=CC=C6N15 |
Product Overview
5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile (CAS 302804-29-1), with molecular formula C22H12N8O and molecular weight 404.11 g/mol. IUPAC: 9-(furan-2-ylmethyl)-12-methyl-4,7,9,11,13,20-hexazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14,16,18-nonaene-5,6-dicarbonitrile.
Chemical Property Profile of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile
Property Insights of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile
The XLogP value of 3.47348 indicates that 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile has 0 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 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile?
The CAS number of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile is 302804-29-1.
What is the molecular formula of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile?
The molecular formula of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile is C22H12N8O.
What is the molecular weight of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile?
The molecular weight of 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile is 404.11 g/mol.
Where can I buy 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile?
You can request a quote for 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-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 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(furan-2-ylmethyl)-7-methyl-5H-pyrazino[2'',3'':4',5']pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazole-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.