![2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid structure](/static/products/6906/690673-69-9.webp)
2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
TL;DR: 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid (CAS 690673-69-9) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
Also Known As: 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid, (E)-2-(4-((1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)propanoic acid, 2-[4-[(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 2.99524 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1157.1708 |
Chemical Identifiers
| CAS Number | 690673-69-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C(=O)O)OC)/C(=O)NC2=S)C |
Product Overview
2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid (CAS 690673-69-9), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: 2-[4-[(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid.
Chemical Property Profile of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
Property Insights of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
The XLogP value of 2.99524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid. Following Lipinski's Rule of Five, 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid has 2 hydrogen bond donor(s) and 6 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 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid?
The CAS number of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid is 690673-69-9.
What is the molecular formula of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid?
The molecular formula of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid is C23H22N2O6S.
What is the molecular weight of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid?
The molecular weight of 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid is 454.12 g/mol.
Where can I buy 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid?
You can request a quote for 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.