Research chemical
CAS Number: 68929-13-5
![1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-(3-methylphenyl)diazenyl]-, barium sodium salt (1:1:2) molecular structure, CAS 68929-13-5](/structure-images/68929-13-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
111829
Exact Mass
720.914842
InChIKey
MMFBQOBEFYXMJP-UHFFFAOYSA-J
IUPAC Name
disodium;barium(2+);N-[7-[(3-methylphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate
SMILES String
CC1=CC(=CC=C1)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C4=CC=CC=C4)[O-])[O-].[Na+].[Na+].[Ba+2]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-(3-methylphenyl)diazenyl]-, barium sodium salt (1:1:2) is identified by CAS 68929-13-5, with molecular formula C24H15BaN3Na2O8S2, molecular weight 720.8, InChIKey MMFBQOBEFYXMJP-UHFFFAOYSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
40
H-bond acceptors
11
H-bond donors
0
Rotatable bonds
6
Ring count
4
Aromatic rings
4
Topological polar surface area
197.6 Ų
Computed LogP
-3.49
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
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-(3-methylphenyl)diazenyl]-, barium sodium salt (1:1:2) (CAS 68929-13-5) is maintained as a commercial cas reference with formula C24H15BaN3Na2O8S2, molecular weight 720.
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.