Research chemical
CAS Number: 1018052-39-5
![2-(4-(Difluoromethyl)-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid molecular structure, CAS 1018052-39-5](/structure-images/1018052-39-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
25247669
Exact Mass
333.092498
InChIKey
GRFLWLYHSQSRKR-UHFFFAOYSA-N
IUPAC Name
2-[4-(difluoromethyl)-3-methyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILES String
Cc1nn(-c2ccccc2)c2c1c(C(F)F)cc(=O)n2CC(=O)O
No physical property values available.
XLogP
2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
24
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
4
Ring count
3
Aromatic rings
3
Topological polar surface area
77.12 Ų
Computed LogP
2.52
Structural features
2-(4-(Difluoromethyl)-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid (CAS 1018052-39-5) is listed in the Advanced Chemicals portfolio, with molecular formula C16H13F2N3O3 and molecular weight 333. 29 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2-(4-(Difluoromethyl)-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
Yes
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.
Signal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.