(E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide
TL;DR: (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide (CAS 340305-52-4) is a chemical compound with molecular formula C27H19FN4O3S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-phenylacetamide
Also Known As: (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide, (E)-2-(3-((1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide, 2-(3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide, 2-(3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide, 2-(3-{[(5E)-1-(2-FLUOROPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}-1H-INDOL-1-YL)-N-PHENYLACETAMIDE
| Molecular Formula | C27H19FN4O3S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 4.2504 |
| Topological Polar Surface Area | 83.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.11618 |
| Heavy Atoms | 36 |
| Complexity | 1561.8032 |
Chemical Identifiers
| CAS Number | 340305-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)NC(=S)N(C4=O)C5=CC=CC=C5F |
Product Overview
(E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide (CAS 340305-52-4), with molecular formula C27H19FN4O3S and molecular weight 498.12 g/mol. IUPAC: 2-[3-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-phenylacetamide.
Chemical Property Profile of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide
Property Insights of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide
The XLogP value of 4.2504 indicates that (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide. Following Lipinski's Rule of Five, (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide has 2 hydrogen bond donor(s) and 4 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)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide?
The CAS number of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide is 340305-52-4.
What is the molecular formula of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide?
The molecular formula of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide is C27H19FN4O3S.
What is the molecular weight of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide?
The molecular weight of (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide is 498.12 g/mol.
Where can I buy (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide?
You can request a quote for (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-((3-(2-Fluorophenyl)-4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H)-ylidene)methyl)-1H-indol-1-yl)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.