Research chemical
[1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxo-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid
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-v3)
Product details
Identity & specification
- Molecular formula
- C12H11F4N3O3
- Molecular weight
- 321.23 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
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
Physical Properties
No physical property values available.
Show more physical data
XLogP
1.1
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
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.
Catalog Facts
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.
Applications & Classification
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.
Procurement questions
What are the key identifiers for [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)?
[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.
Can I request a COA for CAS 1018052-01-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for [1-(2,2-difluoroethyl)-4-(difluoromethyl)-3-methyl-6-oxo-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1018052-01-1 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.