![3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid structure](/static/products/3549/354998-08-6.webp)
3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
TL;DR: 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 354998-08-6) is a chemical compound with molecular formula C19H15N3O5 and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
Also Known As: 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid, (Z)-3-(((2,4,6-trioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 3-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid, 3-[[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid, 3-[[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid
| Molecular Formula | C19H15N3O5 |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | 1.98862 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.10117 |
| Heavy Atoms | 27 |
| Complexity | 1157.198 |
Chemical Identifiers
| CAS Number | 354998-08-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C=NC3=CC=CC(=C3)C(=O)O)O |
Product Overview
3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 354998-08-6), with molecular formula C19H15N3O5 and molecular weight 365.10 g/mol. IUPAC: 3-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid.
Chemical Property Profile of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
Property Insights of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
The XLogP value of 1.98862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[1-(4-methylphenyl)-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-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[[1-(4-methylphenyl)-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-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The CAS number of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 354998-08-6.
What is the molecular formula of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular formula of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is C19H15N3O5.
What is the molecular weight of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular weight of 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 365.10 g/mol.
Where can I buy 3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
You can request a quote for 3-[[1-(4-methylphenyl)-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-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(4-methylphenyl)-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.