Research chemical
CAS Number: 847180-48-7
![(2E)-2-[(2E,4E,6E)-7-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indole-8-sulfonate molecular structure, CAS 847180-48-7](/structure-images/847180-48-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
127263866
Exact Mass
942.183189
InChIKey
ISGPOTXIUFNEFH-UHFFFAOYSA-N
SMILES String
CC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)[O-])cc21
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.
(2E)-2-[(2E,4E,6E)-7-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indole-8-sulfonate is identified by CAS 847180-48-7, with molecular formula C43H46N2O14S4, molecular weight 943.1, InChIKey ISGPOTXIUFNEFH-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.
Heavy atom count
63
H-bond acceptors
16
H-bond donors
4
Rotatable bonds
15
Ring count
6
Aromatic rings
4
Topological polar surface area
263.86 Ų
Computed LogP
7.03
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
10 g/mol, PubChem CID 127263866.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.