Research chemical
CAS Number: 2108526-77-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
57347768
Exact Mass
588.230803
InChIKey
VIENPZHHICPRRZ-UHFFFAOYSA-N
IUPAC Name
2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2,2,2-trifluoroacetic acid
SMILES String
CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C.O=C(O)C(F)(F)F
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.
XMD 8-92 trifluoroacetate is identified by CAS 2108526-77-6, with molecular formula C28H31F3N6O5, molecular weight 588.6, InChIKey VIENPZHHICPRRZ-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
42
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
5
Ring count
5
Aromatic rings
3
Topological polar surface area
131.36 Ų
Computed LogP
4.57
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
XMD 8-92 trifluoroacetate (CAS 2108526-77-6) is maintained as a commercial cas reference with formula C28H31F3N6O5, molecular weight 588. 60 g/mol, PubChem CID 57347768.
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.