(R)-6-(2-(4-Fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-(o-tolyl)pyridazin-3(2H)-one , CAS No.928344-12-1

CAS: 928344-12-1 Cat. No.: R669318 Molecular Weight: 431.5 PubChem CID: 136173253
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Synonyms
AS1940477 | (R)-6-(2-(4-Fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-(o-tolyl)pyridazin-3(2H)-one | AS-1940477 | (R)-6-(2-(4-Fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo-[1,5-a]pyrimidin-3-yl)-2-o-tolylp
Storage
Room temperature
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Size
Status
Price
Qty
1mg
R669318-1mg
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$571.90

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5mg
R669318-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AS1940477 | (R)-6-(2-(4-Fluorophenyl)-6-(hydroxymethyl)-4, 5, 6, 7-tetrahydropyrazolo[1, 5-a]pyrimidin-3-yl)-2-(o-tolyl)pyridazin-3(2H)-one | AS-1940477 | (R)-6-(2-(4-Fluorophenyl)-6-(hydroxymethyl)-4, 5, 6, 7-tetrahydropyrazolo-[1, 5-a]pyrimidin-3-yl)-2-o-tolylp
Storage
Room temperature
Product Properties
ALogP3
Names and Identifiers
Canonical SmilesCC1=CC=CC=C1N2C(=O)C=CC(=N2)C3=C4NCC(CN4N=C3C5=CC=C(C=C5)F)CO
IUPAC Name6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
InChIKeyLYHNSWOZRDSWLX-MRXNPFEDSA-N
INCHI1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
Isomeric SMILES CC1=CC=CC=C1N2C(=O)C=CC(=N2)C3=C4NC[C@H](CN4N=C3C5=CC=C(C=C5)F)CO
PubChem CID 136173253
Molecular Weight 431.5

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolopyrimidines  Toluenes  Pyridazinones  Fluorobenzenes  Pyrimidines and pyrimidine derivatives  Aryl fluorides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Primary alcohols  Organofluorides  Organic oxides  Hydrocarbon derivatives  Amines  Organic anions  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolopyrimidine - Fluorobenzene - Halobenzene - Pyridazinone - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organic anion - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAPK13 Tchem Mitogen-activated protein kinase 13 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK11 Tchem MAP kinase p38 beta (2785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK13 Tchem MAP kinase p38 delta (2605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight431.500 g/mol
XLogP33.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass431.176 Da
Monoisotopic Mass431.176 Da
Topological Polar Surface Area82.800 Ų
Heavy Atom Count32
Formal Charge0
Complexity753.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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