(E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile
TL;DR: (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile (CAS 345338-18-3) is a chemical compound with molecular formula C26H18N4O4 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Also Known As: (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile, 4-[(3-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile, 4-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile
| Molecular Formula | C26H18N4O4 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 3.81628 |
| Topological Polar Surface Area | 108.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1328 |
| Heavy Atoms | 34 |
| Complexity | 1488.0864 |
Chemical Identifiers
| CAS Number | 345338-18-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C#N)/C=C/4\C(=O)NC(=O)N(C4=O)CC5=CC=CO5 |
Product Overview
(E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile (CAS 345338-18-3), with molecular formula C26H18N4O4 and molecular weight 450.13 g/mol. IUPAC: 4-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile.
Chemical Property Profile of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile
Property Insights of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile
The XLogP value of 3.81628 indicates that (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile has 1 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 (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile?
The CAS number of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile is 345338-18-3.
What is the molecular formula of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile?
The molecular formula of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile is C26H18N4O4.
What is the molecular weight of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile?
The molecular weight of (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile is 450.13 g/mol.
Where can I buy (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile?
You can request a quote for (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.