≥98%(HPLC) 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.
| Canonical Smiles | CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N |
|---|---|
| IUPAC Name | 6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile |
| InChIKey | VVVOFJZXKJKHTD-UHFFFAOYSA-N |
| INCHI | 1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28) |
| PubChem CID | 134335083 |
| Molecular Weight | 400.48 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iridoids and derivatives |
| Alternative Parents | Bicyclic monoterpenoids Aromatic monoterpenoids Benzyl alcohols Pyrazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Hydrazones Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Secoiridoid-skeleton - Bicyclic monoterpenoid - Aromatic monoterpenoid - Benzyl alcohol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2518063 | Certificate of Analysis | Nov 29, 2025 | S288641 |
| H2219444 | Certificate of Analysis | Jun 10, 2025 | S288641 |
| H2219445 | Certificate of Analysis | Jun 10, 2025 | S288641 |
| H2219446 | Certificate of Analysis | Jun 10, 2025 | S288641 |
| H2219462 | Certificate of Analysis | Jun 10, 2025 | S288641 |
| H2219463 | Certificate of Analysis | Jun 10, 2025 | S288641 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 20.02, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 400.500 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 400.19 Da |
| Monoisotopic Mass | 400.19 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 707.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
