1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
TL;DR: 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (CAS 56875-76-4) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 3-n-Butylorotsaeure, 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid, 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 56875-76-4 |
|---|---|
| SMILES | CCCCN1C(=O)C=C(NC1=O)C(=O)O |
| InChIKey | BWEWKWLVCWDTLP-UHFFFAOYSA-N |
Product Overview
1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (CAS 56875-76-4), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Property Insights of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic 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 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The CAS number of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is 56875-76-4.
What is the molecular formula of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The molecular formula of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is C9H12N2O4.
What is the molecular weight of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The molecular weight of 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is 212.08 g/mol.
Where can I buy 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
You can request a quote for 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.