![3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione structure](/static/products/4614/461447-68-7.webp)
3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
TL;DR: 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 461447-68-7) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-methylindol-3-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: ChemDiv3_004521, IDI1_022431, 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione, AO-081/41192280, BRD-K43043432-001-01-0
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 461447-68-7 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C=C3C(=O)OC4(CCCCC4)OC3=O |
| InChIKey | PRSKVINVJWYULV-UHFFFAOYSA-N |
Product Overview
3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 461447-68-7), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 3-[(1-methylindol-3-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Property Insights of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
The XLogP value of 3.8 indicates that 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-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 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The CAS number of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is 461447-68-7.
What is the molecular formula of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular formula of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is C19H19NO4.
What is the molecular weight of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular weight of 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is 325.13 g/mol.
Where can I buy 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
You can request a quote for 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-methyl-1H-indol-3-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.