5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 77570-17-3) is a chemical compound with molecular formula C8H11NO4 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(1-aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, AB-337/13036206, 5-(aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(1-amino-ethylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione
| Molecular Formula | C8H11NO4 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.0552 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.0688 |
| Heavy Atoms | 13 |
| Complexity | 277.2659 |
Chemical Identifiers
| CAS Number | 77570-17-3 |
|---|---|
| SMILES | CC(=C1C(=O)OC(OC1=O)(C)C)N |
Product Overview
5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 77570-17-3), with molecular formula C8H11NO4 and molecular weight 185.07 g/mol. IUPAC: 5-(1-aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 0.0552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(1-Aminoethylidene)-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-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 77570-17-3.
What is the molecular formula of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C8H11NO4.
What is the molecular weight of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 185.07 g/mol.
Where can I buy 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(1-Aminoethylidene)-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-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Aminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.