(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
TL;DR: (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (CAS 2291-51-2) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile
Also Known As: ChemDiv3_000229, IDI1_019547, J1.261.112I, (+/-)-cyanomethyl-5-methoxy-1,3-dimethyloxindole, 3-cyanomethyl-5-methoxy-1,3-dimethylindolin-2-one
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 2291-51-2 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)OC)N(C1=O)C)CC#N |
| InChIKey | KCTADLCDIAPGCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (CAS 2291-51-2), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile.
Chemical Property Profile of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
Property Insights of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile has 0 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 (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile?
The CAS number of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile is 2291-51-2.
What is the molecular formula of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile?
The molecular formula of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile is C13H14N2O2.
What is the molecular weight of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile?
The molecular weight of (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile is 230.11 g/mol.
Where can I buy (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile?
You can request a quote for (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-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 (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.