![3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid structure](/static/products/672/672933-67-4.png)
3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
TL;DR: 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 672933-67-4) is a chemical compound with molecular formula C19H14FN3O5 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
Also Known As: 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid, (E)-3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 3-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid, 3-[[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid, 3-[[(Z)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid
| Molecular Formula | C19H14FN3O5 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 1.8784 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.09174 |
| Heavy Atoms | 28 |
| Complexity | 1179.4088 |
Chemical Identifiers
| CAS Number | 672933-67-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O)C(=O)O |
Product Overview
3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 672933-67-4), with molecular formula C19H14FN3O5 and molecular weight 383.09 g/mol. IUPAC: 3-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid.
Chemical Property Profile of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
Property Insights of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
The XLogP value of 1.8784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. The TPSA of 124.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid has 3 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-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The CAS number of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 672933-67-4.
What is the molecular formula of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular formula of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is C19H14FN3O5.
What is the molecular weight of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular weight of 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 383.09 g/mol.
Where can I buy 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
You can request a quote for 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[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.