![2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid structure](/static/products/1283/128306-96-7.webp)
2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid
TL;DR: 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid (CAS 128306-96-7) is a chemical compound with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-3-methylbutanoic acid
Also Known As: 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid, BAS 06172367, 2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-3-methylbutanoic acid, 2-Methylsulfonyl-1-(3-trifluoromethylphenyl)-ethanone, BRD-A65722100-001-01-5
| Molecular Formula | C9H14N4O4 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | -0.9142 |
| Topological Polar Surface Area | 110.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.1015 |
| Heavy Atoms | 17 |
| Complexity | 383.19214 |
Chemical Identifiers
| CAS Number | 128306-96-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C2C(NC(=O)N2)NC1=O |
Product Overview
2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid (CAS 128306-96-7), with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol. IUPAC: 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid
Property Insights of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid
The XLogP value of -0.9142 indicates that 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid. Following Lipinski's Rule of Five, 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid has 4 hydrogen bond donor(s) and 3 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-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid?
The CAS number of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid is 128306-96-7.
What is the molecular formula of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid?
The molecular formula of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid is C9H14N4O4.
What is the molecular weight of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid?
The molecular weight of 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid is 242.10 g/mol.
Where can I buy 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid?
You can request a quote for 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.