![4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid structure](/static/products/5809/5809-84-7.webp)
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
TL;DR: 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid (CAS 5809-84-7) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Also Known As: BIM-0034420.P001, 4-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid, 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid, 4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzoic acid
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 0.4764 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 645.2303 |
Chemical Identifiers
| CAS Number | 5809-84-7 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)NC1=O |
Product Overview
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid (CAS 5809-84-7), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Property Insights of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
The XLogP value of 0.4764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-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 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The CAS number of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is 5809-84-7.
What is the molecular formula of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is C13H10N2O5.
What is the molecular weight of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is 274.06 g/mol.
Where can I buy 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-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 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.