3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
TL;DR: 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (CAS 77695-84-2) 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-2,6-dioxopyrimidine-4-carboxylic acid
Also Known As: ZERO/005254, 3-butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 3-butyl-2,6-dioxopyrimidine-4-carboxylic acid, J3.209.455D, 3-butyl-2,6-dioxo-pyrimidine-4-carboxylic acid
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 0.0349 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 471.73605 |
Chemical Identifiers
| CAS Number | 77695-84-2 |
|---|---|
| SMILES | CCCCN1C(=CC(=O)NC1=O)C(=O)O |
Product Overview
3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (CAS 77695-84-2), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: 3-butyl-2,6-dioxopyrimidine-4-carboxylic acid.
Chemical Property Profile of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Property Insights of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
The XLogP value of 0.0349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid has 2 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 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The CAS number of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is 77695-84-2.
What is the molecular formula of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The molecular formula of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is C9H12N2O4.
What is the molecular weight of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
The molecular weight of 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid is 212.08 g/mol.
Where can I buy 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
You can request a quote for 3-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 3-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-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.