(E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
TL;DR: (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide (CAS 824423-91-8) is a chemical compound with molecular formula C22H16FN5O5 and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide
Also Known As: (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide, 2-{3-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-1H-indol-1-yl}-N-(4-fluorophenyl)acetamide, N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide, N-(4-fluorophenyl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide, N-(4-fluorophenyl)-2-[3-[2-(5-nitro-2,6-dioxo-3H-pyrimidin-4-yl)ethenyl]indol-1-yl]acetamide
| Molecular Formula | C22H16FN5O5 |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 2.8743 |
| Topological Polar Surface Area | 142.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.11356 |
| Heavy Atoms | 33 |
| Complexity | 1514.9591 |
Chemical Identifiers
| CAS Number | 824423-91-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)F)/C=C/C4=C(C(=O)NC(=O)N4)[N+](=O)[O-] |
Product Overview
(E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide (CAS 824423-91-8), with molecular formula C22H16FN5O5 and molecular weight 449.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide.
Chemical Property Profile of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
Property Insights of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
The XLogP value of 2.8743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide. The TPSA of 142.89 Ų indicates high polarity, suggesting (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide has 3 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)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The CAS number of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is 824423-91-8.
What is the molecular formula of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The molecular formula of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is C22H16FN5O5.
What is the molecular weight of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The molecular weight of (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is 449.11 g/mol.
Where can I buy (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
You can request a quote for (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-fluorophenyl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.