![(E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate structure](/static/products/673/673442-88-1.png)
(E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate
TL;DR: (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate (CAS 673442-88-1) is a chemical compound with molecular formula C25H20N4O6 and molecular weight 472.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-(7-methoxy-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-yl]benzoate
Also Known As: (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate, ethyl 4-(5-{(E)-[(2-hydroxy-7-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}furan-2-yl)benzoate, ethyl 4-[5-[(E)-(7-methoxy-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-yl]benzoate
| Molecular Formula | C25H20N4O6 |
|---|---|
| Molecular Weight | 472.14 g/mol |
| LogP | 3.4986 |
| Topological Polar Surface Area | 131.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.13828 |
| Heavy Atoms | 35 |
| Complexity | 1702.4612 |
Chemical Identifiers
| CAS Number | 673442-88-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N/N3C(=O)C4=C(C5=C(N4)C=C(C=C5)OC)NC3=O |
Product Overview
(E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate (CAS 673442-88-1), with molecular formula C25H20N4O6 and molecular weight 472.14 g/mol. IUPAC: ethyl 4-[5-[(E)-(7-methoxy-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-yl]benzoate.
Chemical Property Profile of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate
Property Insights of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate
The XLogP value of 3.4986 indicates that (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate has 2 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 (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate?
The CAS number of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate is 673442-88-1.
What is the molecular formula of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate?
The molecular formula of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate is C25H20N4O6.
What is the molecular weight of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate?
The molecular weight of (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate is 472.14 g/mol.
Where can I buy (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate?
You can request a quote for (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(5-(((7-methoxy-2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.