![5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione structure](/static/products/118/118757-46-3.png)
5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 118757-46-3) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(benzylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione, AH-262/34227015, 5-[(benzylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxan-4,6-dione, 2,2-dimethyl-5-[(benzylamino)methylidene]-, 2,2-dimethyl-4,6-dioxo-5-(N-benzylaminomethylene)-1,3-dioxane
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 118757-46-3 |
|---|---|
| SMILES | CC1(OC(=O)C(=CNCC2=CC=CC=C2)C(=O)O1)C |
| InChIKey | QODFJHPUSURAAU-UHFFFAOYSA-N |
Product Overview
5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 118757-46-3), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 5-[(benzylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Benzylamino)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-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-[(Benzylamino)methylene]-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-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 118757-46-3.
What is the molecular formula of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione is C14H15NO4.
What is the molecular weight of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 261.10 g/mol.
Where can I buy 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-[(Benzylamino)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-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Benzylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.