![(E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate structure](/static/products/387/387352-21-8.png)
(E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate
TL;DR: (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate (CAS 387352-21-8) is a chemical compound with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]-2,6-dimethoxyphenyl] acetate
Also Known As: (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate, [4-[(E)-(2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]-2,6-dimethoxyphenyl] acetate, 4-{(E)-[(2-hydroxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2,6-dimethoxyphenyl acetate
| Molecular Formula | C21H18N4O6 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 1.9958 |
| Topological Polar Surface Area | 127.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.12262 |
| Heavy Atoms | 31 |
| Complexity | 1435.5199 |
Chemical Identifiers
| CAS Number | 387352-21-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)OC |
Product Overview
(E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate (CAS 387352-21-8), with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol. IUPAC: [4-[(E)-(2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate
Property Insights of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate
The XLogP value of 1.9958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate. The TPSA of 127.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate. Following Lipinski's Rule of Five, (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate 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)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate?
The CAS number of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate is 387352-21-8.
What is the molecular formula of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate?
The molecular formula of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate is C21H18N4O6.
What is the molecular weight of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate?
The molecular weight of (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate is 422.12 g/mol.
Where can I buy (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate?
You can request a quote for (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((2,4-dioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)imino)methyl)-2,6-dimethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.