Research chemical
CAS Number: 6388-26-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16129668
Exact Mass
1332.040708
InChIKey
HTPJPKXFBLUBPI-UHFFFAOYSA-I
IUPAC Name
pentasodium;5-[[4-[[4-anilino-6-[[8-hydroxy-7-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxybenzoate
SMILES String
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)c(C)cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(Nc3nc(Nc4ccccc4)nc(Nc4ccc(N=Nc5ccc(O)c(C(=O)[O-])c5)cc4)n3)c2c1O.[Na+].[Na+].[Na+].[Na+].[Na+]
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.
benzoic acid, 2-hydroxy-5-((4-((4-((8-hydroxy-7-((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)azo)-3,6-disulfo-1-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, pentasodium salt is identified by CAS 6388-26-7, with molecular formula C50H33N12Na5O18S4, molecular weight 1333.1, InChIKey HTPJPKXFBLUBPI-UHFFFAOYSA-I.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
89
H-bond acceptors
30
H-bond donors
6
Rotatable bonds
18
Ring count
9
Aromatic rings
9
Topological polar surface area
487.77 Ų
Computed LogP
-6.91
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 16129668.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.