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 2-8°C Ships Wet ice 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.
R1530 is the multikinase inhibitor with potential antiangiogenesis and antineoplastic activities.
| ALogP | 4.4 |
|---|
| Pubchem Sid | 504773225 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773225 |
| Canonical Smiles | CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC |
| IUPAC Name | 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine |
| InChIKey | UOVCGJXDGOGOCZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) |
| Isomeric SMILES | CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC |
| WGK Germany | 3 |
| Alternate CAS | 882531-87-5 |
| PubChem CID | 135398512 |
| MeSH Entry Terms | 5-(2-chlorophenyl)-7-fluoro-1,2-dihydro-8-methoxy-3-methylpyrazol(3,4b)(1,4)benzodiazepine;R 1530;R-1530;R1530 cpd |
| Molecular Weight | 356.78 |
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 | Benzodiazepines |
| Subclass | 1,4-benzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-benzodiazepines |
| Alternative Parents | Anisoles Chlorobenzenes Alkyl aryl ethers Imidolactams Aryl fluorides Aryl chlorides Pyrazolines Ketimines Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,4-benzodiazepine - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrazoline - Carboxylic acid amidrazone - Ketimine - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Imine - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 35.68, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 35.68, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 356.800 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 356.084 Da |
| Monoisotopic Mass | 356.084 Da |
| Topological Polar Surface Area | 62.300 Ų |
| Heavy Atom Count | 25 |
| 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 |
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