2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate
TL;DR: 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate (CAS 852406-45-2) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
Also Known As: 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate, 2-(1H-Indol-3-yl)-2-oxoethyl (2,3-dihydro-1,4-benzodioxin-6-yl)acetate, [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.9077 |
| Topological Polar Surface Area | 77.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 975.24695 |
Chemical Identifiers
| CAS Number | 852406-45-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)CC(=O)OCC(=O)C3=CNC4=CC=CC=C43 |
Product Overview
2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate (CAS 852406-45-2), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.
Chemical Property Profile of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate
Property Insights of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate
The XLogP value of 2.9077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate. The TPSA of 77.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate. Following Lipinski's Rule of Five, 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate has 1 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 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate?
The CAS number of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate is 852406-45-2.
What is the molecular formula of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate?
The molecular formula of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate is C20H17NO5.
What is the molecular weight of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate?
The molecular weight of 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate is 351.11 g/mol.
Where can I buy 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate?
You can request a quote for 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Indol-3-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxin-6-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.