![4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid structure](/static/products/843/843620-88-2.png)
4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid
TL;DR: 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid (CAS 843620-88-2) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzoic acid
Also Known As: 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid, 4-({(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoic acid, 4-({1-[1-(2-Methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propyl}amino)benzoic acid, (E)-4-((1-(2,4,6-trioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid, 4-[[(1E)-1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propyl]amino]benzoic acid
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 2.76882 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1220.2993 |
Chemical Identifiers
| CAS Number | 843620-88-2 |
|---|---|
| SMILES | CCC(=NC1=CC=C(C=C1)C(=O)O)C2=C(N(C(=O)NC2=O)C3=CC=CC=C3C)O |
Product Overview
4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid (CAS 843620-88-2), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: 4-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzoic acid.
Chemical Property Profile of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid
Property Insights of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid
The XLogP value of 2.76882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid. The TPSA of 124.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid. Following Lipinski's Rule of Five, 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]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 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid?
The CAS number of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid is 843620-88-2.
What is the molecular formula of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid?
The molecular formula of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid is C21H19N3O5.
What is the molecular weight of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid?
The molecular weight of 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid is 393.13 g/mol.
Where can I buy 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid?
You can request a quote for 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]propylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.