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Research chemical

rac-(5R,7S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-(1-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS Number: 2639388-87-5

Chemical structure
rac-(5R,7S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-(1-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid molecular structure, CAS 2639388-87-5

Product details

Identity & specification

Molecular formula
C27H22F3N5O4
Molecular weight
537.5 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

165896903

Exact Mass

537.162389

InChIKey

IYWZEIGOVRNLIN-XZOQPEGZSA-N

IUPAC Name

(5S,7R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

SMILES String

Cn1cc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)O)cc3N2C(=O)OCC2c3ccccc3-c3ccccc32)cn1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

39

H-bond acceptors

9

H-bond donors

1

Rotatable bonds

4

Ring count

6

Aromatic rings

4

Topological polar surface area

102.48 Ų

Computed LogP

5.32

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

50 g/mol, PubChem CID 165896903.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityCbl-b-IN-3View related compound →Structure similarity3-[(4-bromo-2-fluorophenyl)methyl]-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidine-3-carboxylic acidView related compound →Structure similarity4,5,6,7-tetrabromo-2-phenyl-1H-isoindole-1,3(2H)-dioneView related compound →Structure similarity7-[4-(5-Chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidView related compound →Structure similarityN-[(2,4-dichlorophenyl)methyl]-2-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamideView related compound →

Procurement questions

What are the key identifiers for rac-(5R,7S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-(1-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 2639388-87-5)?

rac-(5R,7S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-(1-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is identified by CAS 2639388-87-5, with molecular formula C27H22F3N5O4, molecular weight 537.5, InChIKey IYWZEIGOVRNLIN-XZOQPEGZSA-N.

Can I request a COA for CAS 2639388-87-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for rac-(5R,7S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-(1-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 2639388-87-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.