![methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate structure](/static/products/6173/6173-05-3.webp)
methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate
TL;DR: methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate (CAS 6173-05-3) is a chemical compound with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate, methyl 2-[3-[(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate, Methyl (3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate, methyl 2-(3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxo-1,3-dihydropyrimidin-5-ylid ene]methyl}indolyl)acetate
| Molecular Formula | C24H21N3O4S |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 3.208 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.12527 |
| Heavy Atoms | 32 |
| Complexity | 1291.3912 |
Chemical Identifiers
| CAS Number | 6173-05-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)OC)/C(=O)NC2=S |
Product Overview
methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate (CAS 6173-05-3), with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol. IUPAC: methyl 2-[3-[(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate
Property Insights of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate
The XLogP value of 3.208 indicates that methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate. Following Lipinski's Rule of Five, methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate 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 methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate?
The CAS number of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate is 6173-05-3.
What is the molecular formula of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate?
The molecular formula of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate is C24H21N3O4S.
What is the molecular weight of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate?
The molecular weight of methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate is 447.13 g/mol.
Where can I buy methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate?
You can request a quote for methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-{[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.