≥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
kb-NB77-78 is an analog of CID797718. However, it shows no inhibitory activty towards PKD1.
| ALogP | 4.871 |
|---|---|
| hba_count | 3 |
| HBD Count | 1 |
| Rotatable Bond | 3 |
| Pubchem Sid | 504772437 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772437 |
| Canonical Smiles | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3 |
| IUPAC Name | 9-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one |
| InChIKey | UNMWMPXUIXEQJZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H25NO3Si/c1-18(2,3)23(4,5)22-12-8-9-15-14(11-12)13-7-6-10-19-16(13)17(20)21-15/h8-9,11,19H,6-7,10H2,1-5H3 |
| Isomeric SMILES | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3 |
| Molecular Weight | 331.48 |
| Reaxy-Rn | 22631629 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22631629&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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromenopyridines |
| Alternative Parents | Coumarins and derivatives Secondary alkylarylamines Pyranones and derivatives Aralkylamines Benzenoids Trialkylheterosilanes Heteroaromatic compounds Lactones Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromenopyridine - Coumarin - Pyranone - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Pyran - Trialkylheterosilane - Heteroaromatic compound - Lactone - Organoheterosilane - Oxacycle - Azacycle - Organic metalloid salt - Secondary amine - Amine - Organosilicon compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety. |
| External Descriptors | Not available |
| Solubility | 66 mg/mL(199.11 mM) in DMSO；66 mg/mL(199.11 mM) in Ethanol；Water（Insoluble） |
|---|---|
| DMSO(mg / mL) Max Solubility | 66 |
| DMSO(mM) Max Solubility | 199.107035115241 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 331.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 331.16 Da |
| Monoisotopic Mass | 331.16 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| 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 |
H2223379