5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 902305-79-7) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(1-benzyl-1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.6844 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 983.5845 |
Chemical Identifiers
| CAS Number | 902305-79-7 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C |
Product Overview
5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 902305-79-7), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: 5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 3.6844 indicates that 5-((1-benzyl-1H-indol-3-yl)methyl)-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 57.53 Ų, 5-((1-benzyl-1H-indol-3-yl)methyl)-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-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 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-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is 902305-79-7.
What is the molecular formula of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is C22H21NO4.
What is the molecular weight of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione is 363.15 g/mol.
Where can I buy 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-((1-benzyl-1H-indol-3-yl)methyl)-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-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-benzyl-1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.