Research chemical
CAS Number: 217190-13-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154701658
Exact Mass
634.186892
InChIKey
NRJDJVBNPCQPEJ-UHFFFAOYSA-N
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-(2-fluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boratricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]acetyl]amino]hexanoate fluoride
SMILES String
O=C(COc1ccc(-c2ccc3n2B(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCC(=O)ON1C(=O)CCC1=O.[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.
Bdp TR is identified by CAS 217190-13-1, with molecular formula C31H29BF2N4O6S, molecular weight 634.5, InChIKey NRJDJVBNPCQPEJ-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
45
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
12
Ring count
6
Aromatic rings
3
Topological polar surface area
109.95 Ų
Computed LogP
1.11
Fragment-like structure rule
No
Lead-like structure rule
No
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Bdp TR (CAS 217190-13-1) is maintained as a commercial cas reference with formula C31H29BF2N4O6S, molecular weight 634. 50 g/mol, PubChem CID 154701658.
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, boronic-acid-related structure, drug-like rule profile.
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.