![2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid structure](/static/products/674/674811-94-0.webp)
2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
TL;DR: 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 674811-94-0) is a chemical compound with molecular formula C19H14FN3O5 and molecular weight 383.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
Also Known As: 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid, (E)-2-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 2-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid, 2-[[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid, 2-[[(Z)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid
Technical Specifications
| Molecular Formula | C19H14FN3O5 |
| Molecular Weight | 383.09174 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.09174 Da |
| Heavy Atoms | 28 |
| Complexity | 700.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O |
| InChIKey | JPWCUPVDHMQNOH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
Property Insights of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. Following Lipinski's Rule of Five, 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The CAS number of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 674811-94-0.
What is the molecular formula of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular formula of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is C19H14FN3O5.
What is the molecular weight of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular weight of 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 383.09174 g/mol.
Where can I buy 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
You can request a quote for 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.