1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime
TL;DR: 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime (CAS 400074-64-8) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime, 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[(hydroxyimino)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -0.887 |
| Topological Polar Surface Area | 90.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 300.8966 |
Chemical Identifiers
| CAS Number | 400074-64-8 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C=NO |
Product Overview
1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime (CAS 400074-64-8), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime
Property Insights of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime
The XLogP value of -0.887 indicates that 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime has 1 hydrogen bond donor(s) and 5 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-trioxohexahydro-5-pyrimidinecarbaldehyde oxime?
The CAS number of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime is 400074-64-8.
What is the molecular formula of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime?
The molecular formula of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime is C7H9N3O4.
What is the molecular weight of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime?
The molecular weight of 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime is 199.06 g/mol.
Where can I buy 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime?
You can request a quote for 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime 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-trioxohexahydro-5-pyrimidinecarbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.