Research chemical
CAS Number: 72749-80-5
![Benzo[a]phenazinium, 9-amino-7-phenyl-5-(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:2) molecular structure, CAS 72749-80-5](/structure-images/72749-80-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
166298
Exact Mass
617.05414
InChIKey
OKBJQVCCZCGZHD-UHFFFAOYSA-M
IUPAC Name
disodium;9-amino-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate
SMILES String
C1=CC=C(C=C1)NC2=CC3=[N+](C4=C(C=C(C(=C4)N)S(=O)(=O)[O-])N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])C6=CC=CC=C6.[Na+].[Na+]
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.
Benzo[a]phenazinium, 9-amino-7-phenyl-5-(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:2) is identified by CAS 72749-80-5, with molecular formula C28H19N4Na2O6S2+, molecular weight 617.6, InChIKey OKBJQVCCZCGZHD-UHFFFAOYSA-M.
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
10
H-bond donors
3
Rotatable bonds
5
Ring count
6
Aromatic rings
6
Topological polar surface area
169.22 Ų
Computed LogP
-2.04
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
Benzo[a]phenazinium, 9-amino-7-phenyl-5-(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:2) (CAS 72749-80-5) is maintained as a commercial cas reference with formula C28H19N4Na2O6S2+, molecular weight 617. 60 g/mol, PubChem CID 166298.
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.