(Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
TL;DR: (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid (CAS 346642-81-7) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid
Also Known As: (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid, 4-[(1-mesityl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid, 4-[[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic Acid, 4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.97646 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1027.9608 |
Chemical Identifiers
| CAS Number | 346642-81-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)NC2=O)C |
Product Overview
(Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid (CAS 346642-81-7), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
Property Insights of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
The XLogP value of 2.97646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The CAS number of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is 346642-81-7.
What is the molecular formula of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The molecular formula of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is C21H18N2O5.
What is the molecular weight of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The molecular weight of (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is 378.12 g/mol.
Where can I buy (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
You can request a quote for (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((1-mesityl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.