5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
TL;DR: 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde (CAS 21436-82-8) is a chemical compound with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
Also Known As: 2-anilino-4-oxochromene-3-carboxaldehyde, 5-(4-chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde, 5-[(4-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carbaldehyde, 5-[(4-Chlorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C12H9ClN2O3 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03018 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 21436-82-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)C=O)Cl |
| InChIKey | UWBOXXYMHMKQSX-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde (CAS 21436-82-8), with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
Property Insights of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde. Following Lipinski's Rule of Five, 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde 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 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde?
The CAS number of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde is 21436-82-8.
What is the molecular formula of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde?
The molecular formula of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde is C12H9ClN2O3.
What is the molecular weight of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde?
The molecular weight of 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde is 264.03 g/mol.
Where can I buy 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde?
You can request a quote for 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.