4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-
TL;DR: 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- (CAS 34147-96-1) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
Also Known As: 3-tert-Butyl-6-formyluracil, 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-, 1-(1,1-Dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxaldehyde, 3-tert-butyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde, 1-tert-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.1041 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 430.92102 |
Chemical Identifiers
| CAS Number | 34147-96-1 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C=C(NC1=O)C=O |
Product Overview
4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- (CAS 34147-96-1), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 3-tert-butyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-
Property Insights of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-
The XLogP value of 0.1041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-. The TPSA of 71.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-. Following Lipinski's Rule of Five, 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- has 1 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 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-?
The CAS number of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- is 34147-96-1.
What is the molecular formula of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-?
The molecular formula of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- is C9H12N2O3.
What is the molecular weight of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-?
The molecular weight of 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- is 196.08 g/mol.
Where can I buy 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-?
You can request a quote for 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.