![1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/100/1005082-70-1.png)
1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 1005082-70-1) is a chemical compound with molecular formula C17H23N3O4 and molecular weight 333.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-5-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione, 6-Hydroxy-1,3-dimethyl-5-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione, 1,3-dimethyl-5-(((4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-yl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C17H23N3O4 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.16885 |
| Heavy Atoms | 24 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 1005082-70-1 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2N=CC3=C(N(C(=O)N(C3=O)C)C)O)C)C |
| InChIKey | VMNDUMBKKBTULK-UHFFFAOYSA-N |
Product Overview
1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 1005082-70-1), with molecular formula C17H23N3O4 and molecular weight 333.17 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-5-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione 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-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is 1005082-70-1.
What is the molecular formula of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is C17H23N3O4.
What is the molecular weight of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is 333.17 g/mol.
Where can I buy 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione 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-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.