5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 369398-68-5) is a chemical compound with molecular formula C13H11F2NO4 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(((3,4-difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, AB00115568-01, 5-{[(3,4-difluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione, F0913-4514, 5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C13H11F2NO4 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0656 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 369398-68-5 |
|---|---|
| SMILES | CC1(OC(=O)C(=CNC2=CC(=C(C=C2)F)F)C(=O)O1)C |
| InChIKey | YTDLIMYUZMIKNY-UHFFFAOYSA-N |
Product Overview
5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 369398-68-5), with molecular formula C13H11F2NO4 and molecular weight 283.07 g/mol. IUPAC: 5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 7 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-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 369398-68-5.
What is the molecular formula of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C13H11F2NO4.
What is the molecular weight of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 283.07 g/mol.
Where can I buy 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(((3,4-Difluorophenyl)amino)methylene)-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-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((3,4-Difluorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.