![3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid structure](/static/products/5687/56875-78-6.webp)
3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
TL;DR: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CAS 56875-78-6) is a chemical compound with molecular formula C16H18N4O8 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid, 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo, 1,1'-(Hexane-1,6-diyl)bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid), 1,1'-Hexane-1,6-diylbis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid)
| Molecular Formula | C16H18N4O8 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.11246 |
| Heavy Atoms | 28 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 56875-78-6 |
|---|---|
| SMILES | C1=C(NC(=O)N(C1=O)CCCCCCN2C(=O)C=C(NC2=O)C(=O)O)C(=O)O |
| InChIKey | KEPFMWAUHOPSKP-UHFFFAOYSA-N |
Product Overview
3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CAS 56875-78-6), with molecular formula C16H18N4O8 and molecular weight 394.11 g/mol. IUPAC: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Property Insights of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
The XLogP value of -0.9 indicates that 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has 4 hydrogen bond donor(s) and 8 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 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The CAS number of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is 56875-78-6.
What is the molecular formula of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The molecular formula of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is C16H18N4O8.
What is the molecular weight of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The molecular weight of 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is 394.11 g/mol.
Where can I buy 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
You can request a quote for 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.