Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
O4I1 O4I1 is a potent Oct3/4 inducer.
Targets
OCT4 ; OCT3
In vitro
O4I1 enhances Oct3/4 gene expression by approximately 2.5- and 4-fold at 10 μM and 20 μM, respectively, increases Oct3/4 protein levels, and promotes Oct3/4 mediated transcriptional activation.
| Pubchem Sid | 504761885 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761885 |
| Canonical Smiles | COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N |
| IUPAC Name | 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile |
| InChIKey | QJEJLARVLKHYFW-UHFFFAOYSA-N |
| INCHI | 1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N |
| Molecular Weight | 253.3 |
| Reaxy-Rn | 14502312 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14502312&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 12, 2025 | O413882 | |
| Certificate of Analysis | Aug 12, 2025 | O413882 | |
| Certificate of Analysis | Aug 12, 2025 | O413882 | |
| Certificate of Analysis | Aug 12, 2025 | O413882 |
| Solubility | Solubility (25°C) In vitro DMSO: 51 mg/mL (201.34 mM); Ethanol: 1 mg/mL warmed with 50ºC Water: bath (3.94 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 253.290 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 253.11 Da |
| Monoisotopic Mass | 253.11 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |