Research chemical
CAS Number: 2245237-61-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
169448771
Exact Mass
562.11464
InChIKey
VXKBOSGNBGMADK-UHFFFAOYSA-N
IUPAC Name
tert-butyl 6-[4-bromo-6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-2-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILES String
Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(Br)cc(Cl)cc32)cc(C)c1F
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.
SOS1 agonist-1 is identified by CAS 2245237-61-8, with molecular formula C26H29BrClFN4O2, molecular weight 563.9, InChIKey VXKBOSGNBGMADK-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
3
Ring count
5
Aromatic rings
3
Topological polar surface area
50.6 Ų
Computed LogP
6.31
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
SOS1 agonist-1 (CAS 2245237-61-8) is maintained as a commercial cas reference with formula C26H29BrClFN4O2, molecular weight 563. 90 g/mol, PubChem CID 169448771.
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.