2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione (CAS 425656-65-1) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-(1H-indol-3-ylmethylidene)-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione, 2-butyl-5-(1H-indol-3-ylmethylidene)-2-methyl-1,3-dioxane-4,6-dione, 5-((1H-indol-3-yl)methylene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione, 2-BUTYL-5-[(1H-INDOL-3-YL)METHYLIDENE]-2-METHYL-1,3-DIOXANE-4,6-DIONE
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.5577 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 767.1704 |
Chemical Identifiers
| CAS Number | 425656-65-1 |
|---|---|
| SMILES | CCCCC1(OC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)O1)C |
Product Overview
2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione (CAS 425656-65-1), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2-butyl-5-(1H-indol-3-ylmethylidene)-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 3.5577 indicates that 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 4 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 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione?
The CAS number of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione is 425656-65-1.
What is the molecular formula of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione is C18H19NO4.
What is the molecular weight of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione is 313.13 g/mol.
Where can I buy 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-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 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-5-(1H-indol-3-ylmethylene)-2-methyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.