Research chemical
CAS Number: 1018052-01-1
![[1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxo-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid molecular structure, CAS 1018052-01-1](/structure-images/1018052-01-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
25247657
Exact Mass
321.073654
InChIKey
DQKBABQJDAURMU-UHFFFAOYSA-N
IUPAC Name
2-[1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILES String
Cc1nn(CC(F)F)c2c1c(C(F)F)cc(=O)n2CC(=O)O
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
[1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxo-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid is identified by CAS 1018052-01-1, with molecular formula C12H11F4N3O3, molecular weight 321.23, InChIKey DQKBABQJDAURMU-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
1.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
22
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
77.12 Ų
Computed LogP
1.79
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.
Structural features
[1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxo-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid (CAS 1018052-01-1) is listed in the Advanced Chemicals portfolio, with molecular formula C12H11F4N3O3 and molecular weight 321. 23 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.