5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 72651-98-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione, BDAVXCPEOTZZLK-UHFFFAOYSA-, 5-[(1H-Indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-, 2,2-Dimethyl-5-(3-indolylmethyl)-1,3-dioxane-4,6-dione
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 72651-98-0 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)CC2=CNC3=CC=CC=C32)C |
| InChIKey | BDAVXCPEOTZZLK-UHFFFAOYSA-N |
Product Overview
5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 72651-98-0), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: 5-(1H-indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(1H-Indol-3-ylmethyl)-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-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-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 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is 72651-98-0.
What is the molecular formula of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is C15H15NO4.
What is the molecular weight of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is 273.10 g/mol.
Where can I buy 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(1H-Indol-3-ylmethyl)-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-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.