![4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid structure](/static/products/3466/346636-99-5.webp)
4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
TL;DR: 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid (CAS 346636-99-5) is a chemical compound with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
Also Known As: 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid, 4-[5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic Acid, (Z)-4-(5-((5-methylthiophen-2-yl)methylene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid, 4-[(5Z)-4-hydroxy-5-[(5-methylthiophen-2-yl)methylidene]-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl]benzoic acid
| Molecular Formula | C17H12N2O5S |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 2.42112 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0467 |
| Heavy Atoms | 25 |
| Complexity | 926.7698 |
Chemical Identifiers
| CAS Number | 346636-99-5 |
|---|---|
| SMILES | CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid (CAS 346636-99-5), with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol. IUPAC: 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid.
Chemical Property Profile of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
Property Insights of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
The XLogP value of 2.42112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid has 2 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-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid?
The CAS number of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid is 346636-99-5.
What is the molecular formula of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid?
The molecular formula of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid is C17H12N2O5S.
What is the molecular weight of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid?
The molecular weight of 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid is 356.05 g/mol.
Where can I buy 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid?
You can request a quote for 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]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-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.