1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
TL;DR: 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone (CAS 96337-39-2) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
Also Known As: KST-1B9467, 1-(1h-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone, Ethanone,1-(1h-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-, 1-(1H-Indol-3-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethan-1-one
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 96337-39-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-] |
| InChIKey | UKVVXMOVJYYHNT-UHFFFAOYSA-N |
Product Overview
1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone (CAS 96337-39-2), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: 1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone.
Chemical Property Profile of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
Property Insights of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
The XLogP value of 3.0 indicates that 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone 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 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone?
The CAS number of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone is 96337-39-2.
What is the molecular formula of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone?
The molecular formula of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone is C17H12N2O5.
What is the molecular weight of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone?
The molecular weight of 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone is 324.07 g/mol.
Where can I buy 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone?
You can request a quote for 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1h-Indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.