Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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.
| ALogP | 1.6 |
|---|
| Pubchem Sid | 504769943 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769943 |
| Canonical Smiles | CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC |
| IUPAC Name | 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one |
| InChIKey | XDLYKKIQACFMJG-UHFFFAOYSA-N |
| INCHI | 1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26) |
| Isomeric SMILES | CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC |
| Molecular Weight | 425.48 |
| Reaxy-Rn | 23698522 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23698522&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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | Pyrido[2,3-d]pyrimidines Pyridinones Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bipyridine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Alkyl aryl ether - Aminopyrimidine - Pyridinone - Pyrimidine - Heteroaromatic compound - Lactam - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Primary alcohol - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| 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 | Jul 15, 2025 | P126369 | |
| Certificate of Analysis | Jul 15, 2025 | P126369 | |
| Certificate of Analysis | Jul 15, 2025 | P126369 | |
| Certificate of Analysis | Jul 15, 2025 | P126369 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 42.55, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 425.500 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 425.206 Da |
| Monoisotopic Mass | 425.206 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →