3-Benzoyloxyacetylindole
TL;DR: 3-Benzoyloxyacetylindole (CAS 2400-52-4) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 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] benzoate
Also Known As: 3-Benzoyloxyacetylindole, 2-(Benzoyloxy)-1-(1H-indol-3-yl)ethanone, Ethanone, 2-(benzoyloxy)-1-(1H-indol-3-yl)-, 5-21-12-00354 (Beilstein Handbook Reference), [2-(1H-indol-3-yl)-2-oxoethyl] benzoate
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 2400-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | SWYFHXFOEDBRAI-UHFFFAOYSA-N |
Product Overview
3-Benzoyloxyacetylindole (CAS 2400-52-4), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] benzoate.
Chemical Property Profile of 3-Benzoyloxyacetylindole
Property Insights of 3-Benzoyloxyacetylindole
The XLogP value of 3.6 indicates that 3-Benzoyloxyacetylindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, 3-Benzoyloxyacetylindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyloxyacetylindole has 1 hydrogen bond donor(s) and 3 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-Benzoyloxyacetylindole?
The CAS number of 3-Benzoyloxyacetylindole is 2400-52-4.
What is the molecular formula of 3-Benzoyloxyacetylindole?
The molecular formula of 3-Benzoyloxyacetylindole is C17H13NO3.
What is the molecular weight of 3-Benzoyloxyacetylindole?
The molecular weight of 3-Benzoyloxyacetylindole is 279.09 g/mol.
Where can I buy 3-Benzoyloxyacetylindole?
You can request a quote for 3-Benzoyloxyacetylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyloxyacetylindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyloxyacetylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.