![3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid structure](/static/products/3473/347387-07-9.webp)
3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
TL;DR: 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid (CAS 347387-07-9) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
Also Known As: 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid, 3-[5-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid, (E)-3-(5-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid, 3-(5-{(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.23646 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1364.9668 |
Chemical Identifiers
| CAS Number | 347387-07-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)C)/C(=O)NC2=O)C |
Product Overview
3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid (CAS 347387-07-9), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: 3-[5-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid.
Chemical Property Profile of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Property Insights of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
The XLogP value of 4.23646 indicates that 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid has 2 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 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The CAS number of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is 347387-07-9.
What is the molecular formula of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The molecular formula of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is C25H20N2O6.
What is the molecular weight of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The molecular weight of 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is 444.13 g/mol.
Where can I buy 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
You can request a quote for 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.