3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one
TL;DR: 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one (CAS 81269-26-3) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
Also Known As: 3-(3-indolyl)phthalide, 3-(1H-indol-3-yl)isobenzofuran-1(3H)-one, 3-(1H-indol-3-yl)-2-benzofuran-1(3H)-one, 3-(1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one, 3-(1h-indol-3-yl)-2-benzofuran-1(3h)-on
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 81269-26-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C3=CNC4=CC=CC=C43 |
| InChIKey | NFKMAYYHLXEVDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one (CAS 81269-26-3), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: 3-(1H-indol-3-yl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one
Property Insights of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one
The XLogP value of 3.2 indicates that 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 2 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-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one?
The CAS number of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one is 81269-26-3.
What is the molecular formula of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one?
The molecular formula of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one is C16H11NO2.
What is the molecular weight of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one?
The molecular weight of 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one is 249.08 g/mol.
Where can I buy 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one?
You can request a quote for 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.