Research chemical
CAS Number: 2084850-40-6
![4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate molecular structure, CAS 2084850-40-6](/structure-images/2084850-40-6.png?v=struct-v3)
PubChem CID
155270687
Exact Mass
1317.642928
InChIKey
UYNYHTXDTCBXTN-UHFFFAOYSA-N
SMILES String
Cc1nn(-c2ccc(C(N)=O)c(NCCCOCCOCCOCCOCCOCCCNCc3ccc(C(=C\C=C4\N(CCCCS(=O)(=O)O)c5ccccc5C4(C)C)/C=C/C4=[N+](CCCCS(=O)(=O)[O-])c5ccccc5C4(C)C)cc3)c2)c2c1C(=O)CC(C)(C)C2
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate is identified by CAS 2084850-40-6, with molecular formula C71H95N7O13S2, molecular weight 1318.7, InChIKey UYNYHTXDTCBXTN-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Product details
For laboratory research and professional procurement workflows.
Heavy atom count
93
H-bond acceptors
20
H-bond donors
5
Rotatable bonds
39
Ring count
8
Aromatic rings
5
Topological polar surface area
266.01 Ų
Computed LogP
10.19
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
70 g/mol, PubChem CID 155270687.
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.
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.