![2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile structure](/static/products/2820/2820-44-2.webp)
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
TL;DR: 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile (CAS 2820-44-2) is a chemical compound with molecular formula C17H14N2O and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile
Also Known As: 5-BENZYLOXYINDOLE-3-ACETONITRILE, o-Chloranil, (5-Benzyloxyindol-3-yl)acetonitrile, 5-BENZOLOXY-3-INDOLEACETONITRILE, 2-(5-(benzyloxy)-1H-indol-3-yl)acetonitrile
| Molecular Formula | C17H14N2O |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.11063 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 2820-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC#N |
| InChIKey | ADPRFNVFBYHCJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile (CAS 2820-44-2), with molecular formula C17H14N2O and molecular weight 262.11 g/mol. IUPAC: 2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
Property Insights of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
The XLogP value of 3.2 indicates that 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile 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 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile?
The CAS number of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile is 2820-44-2.
What is the molecular formula of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile?
The molecular formula of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile is C17H14N2O.
What is the molecular weight of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile?
The molecular weight of 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile is 262.11 g/mol.
Where can I buy 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile?
You can request a quote for 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.