Figopitant , Neurokinin 1 receptor antagonist, CAS No.502422-74-4, Neurokinin 1 receptor antagonist

CAS: 502422-74-4 Cat. No.: F671062 Molecular Weight: 527.5 PubChem CID: 9914857
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Synonyms
FIGOPITANT | CHEMBL2104927 | BIIF 1149 BS | BIIF 1149 CL | DB12122 | (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-2-phenylacetamide | UNII-23X73B9O6Q | HUTHJVYJUPXHDF-DEOSSOPVSA-N | BIIF-1149-BS | (S)-N
Storage
Room temperature
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Size
Status
Price
Qty
1mg
F671062-1mg
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$999.90
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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
FIGOPITANT | CHEMBL2104927 | BIIF 1149 BS | BIIF 1149 CL | DB12122 | (2S)-N-[2-[3, 5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-2-phenylacetamide | UNII-23X73B9O6Q | HUTHJVYJUPXHDF-DEOSSOPVSA-N | BIIF-1149-BS | (S)-N
Storage
Room temperature
Action Type
ANTAGONIST
Mechanism of action
Neurokinin 1 receptor antagonist
Product Properties
ALogP5.8
Names and Identifiers
Canonical SmilesCN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4CC4
IUPAC Name(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-2-phenylacetamide
InChIKeyHUTHJVYJUPXHDF-DEOSSOPVSA-N
INCHI1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1
Isomeric SMILES CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](C2=CC=CC=C2)N3CCN(CC3)CC4CC4
PubChem CID 9914857
Molecular Weight 527.5

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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-piperazineacetamides
Alternative Parents Trifluoromethylbenzenes  Phenylacetamides  Alpha amino acids and derivatives  N-alkylpiperazines  Aralkylamines  Tertiary carboxylic acid amides  Trialkylamines  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - Trifluoromethylbenzene - Phenylacetamide - N-piperazineacetamide - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
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