Research chemical
CAS Number: 2982574-79-6
![formula IIIb [WO2023177592] molecular structure, CAS 2982574-79-6](/structure-images/2982574-79-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168679388
Exact Mass
615.264855
InChIKey
ZAAAXOTWIKLEGP-CALCHBBNSA-N
IUPAC Name
5-amino-2-chloro-4-fluoro-N-[4-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3-methylbenzamide
SMILES String
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCN(C)CC4)nn3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)c1Cl
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
formula IIIb [WO2023177592] is identified by CAS 2982574-79-6, with molecular formula C29H36ClF2N9O2, molecular weight 616.1, InChIKey ZAAAXOTWIKLEGP-CALCHBBNSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
5
Ring count
5
Aromatic rings
3
Topological polar surface area
115.86 Ų
Computed LogP
3.26
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
formula IIIb [WO2023177592] (CAS 2982574-79-6) is maintained as a commercial cas reference with formula C29H36ClF2N9O2, molecular weight 616. 10 g/mol, PubChem CID 168679388.
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.
Documentation needs
Review supplier documentation 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.