1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
TL;DR: 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde (CAS 42604-63-7) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
Also Known As: 1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde, 3-hydrazinyl-4-methylpyridazine, 5-formyl-1,3-dimethylbarbituric acid, 1,3-Dimethyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carbaldehyde, BAS 00355503
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | -1.1481 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 274.86768 |
Chemical Identifiers
| CAS Number | 42604-63-7 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C=O |
Product Overview
1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde (CAS 42604-63-7), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: 1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde.
Chemical Property Profile of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
Property Insights of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
The XLogP value of -1.1481 indicates that 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde has 0 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 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde?
The CAS number of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde is 42604-63-7.
What is the molecular formula of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde?
The molecular formula of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde is C7H8N2O4.
What is the molecular weight of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde?
The molecular weight of 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde is 184.05 g/mol.
Where can I buy 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde?
You can request a quote for 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.