5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 959083-26-2) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[(N-phenylanilino)methylidene]-1,3-dioxane-4,6-dione
Also Known As: 5-((DIPHENYLAMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE, 5-[(diphenylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(N-phenylanilino)methylidene]-1,3-dioxane-4,6-dione, 1,3-Dioxan-4,6-dione, 2,2-dimethyl-5-(diphenylaminomethylidene)-, 2,2-dimethyl-5-[(N-phenylanilino)methylene]-1,3-dioxane-4,6-dione
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 959083-26-2 |
|---|---|
| SMILES | CC1(OC(=O)C(=CN(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O1)C |
| InChIKey | XDSAUIOBKGRDOX-UHFFFAOYSA-N |
Product Overview
5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 959083-26-2), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 2,2-dimethyl-5-[(N-phenylanilino)methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 4.1 indicates that 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 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-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 959083-26-2.
What is the molecular formula of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C19H17NO4.
What is the molecular weight of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 323.12 g/mol.
Where can I buy 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-((Diphenylamino)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-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((Diphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.