1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
TL;DR: 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- (CAS 54744-66-0) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile
Also Known As: 2-(2-Oxoindolin-3-yl)acetonitrile, 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-, 2-Oxo-3-indolineacetonitrile, 2-Oxoindoline-3-acetonitrile, 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 54744-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2)CC#N |
| InChIKey | HGYKSFCCBATMSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- (CAS 54744-66-0), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile.
Chemical Property Profile of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
Property Insights of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-. With a topological polar surface area (TPSA) of 52.9 Ų, 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- 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 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-?
The CAS number of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- is 54744-66-0.
What is the molecular formula of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-?
The molecular formula of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- is C10H8N2O.
What is the molecular weight of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-?
The molecular weight of 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- is 172.06 g/mol.
Where can I buy 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-?
You can request a quote for 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.