1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
TL;DR: 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde (CAS 166755-10-8) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
Also Known As: 3,6-dimethyl-5-formyl-1-(1-methylpropyl)pyrimidine-2,4-dione, 1-butan-2-yl-3,6-dimethyl-2,4-dioxo-pyrimidine-5-carbaldehyde, 1-(1-Methylpropyl)-2,4-dioxo-3,6-dimethyl-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 1-(butan-2-yl)-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 0.63892 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 525.25684 |
Chemical Identifiers
| CAS Number | 166755-10-8 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)N(C1=O)C)C=O)C |
Product Overview
1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde (CAS 166755-10-8), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: 1-butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde.
Chemical Property Profile of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
Property Insights of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
The XLogP value of 0.63892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde. Following Lipinski's Rule of Five, 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde has 0 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 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The CAS number of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde is 166755-10-8.
What is the molecular formula of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The molecular formula of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde is C11H16N2O3.
What is the molecular weight of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The molecular weight of 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde is 224.12 g/mol.
Where can I buy 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
You can request a quote for 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Butan-2-yl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.