5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 15568-88-4) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(aminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, aminomethylenedimethyldioxanedione, 1L-411S, C-4160
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.3349 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 244.57994 |
Chemical Identifiers
| CAS Number | 15568-88-4 |
|---|---|
| SMILES | CC1(OC(=O)C(=CN)C(=O)O1)C |
Product Overview
5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 15568-88-4), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: 5-(aminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of -0.3349 indicates that 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione 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 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 15568-88-4.
What is the molecular formula of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C7H9NO4.
What is the molecular weight of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 171.05 g/mol.
Where can I buy 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.