![2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid structure](/static/products/392/392725-64-3.png)
2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
TL;DR: 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 392725-64-3) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
Also Known As: 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid, (E)-2-(((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 2-({(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid, 2-({[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene]methyl }amino)benzoic acid, 2-[[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid
| Molecular Formula | C20H17N3O5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 2.29704 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.11682 |
| Heavy Atoms | 28 |
| Complexity | 1221.2413 |
Chemical Identifiers
| CAS Number | 392725-64-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)C=NC3=CC=CC=C3C(=O)O)O)C |
Product Overview
2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 392725-64-3), with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol. IUPAC: 2-[[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid.
Chemical Property Profile of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
Property Insights of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
The XLogP value of 2.29704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-(3,4-dimethylphenyl)-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 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. Following Lipinski's Rule of Five, 2-[[1-(3,4-dimethylphenyl)-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 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The CAS number of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 392725-64-3.
What is the molecular formula of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular formula of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is C20H17N3O5.
What is the molecular weight of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular weight of 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 379.12 g/mol.
Where can I buy 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
You can request a quote for 2-[[1-(3,4-dimethylphenyl)-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 2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-(3,4-dimethylphenyl)-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.