Research chemical
CAS Number: 20025-74-5
![1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3) molecular structure, CAS 20025-74-5](/structure-images/20025-74-5.png?v=struct-v3)
Product details
PubChem CID
88334
Exact Mass
836.869554
InChIKey
FRBAGNOAEDOWSE-UHFFFAOYSA-K
IUPAC Name
trisodium;7-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate
SMILES String
C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)N=NC3=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-].[Na+].[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.
1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3) is identified by CAS 20025-74-5, with molecular formula C26H13Cl3N7Na3O9S3, molecular weight 838.9, InChIKey FRBAGNOAEDOWSE-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
51
H-bond acceptors
16
H-bond donors
1
Rotatable bonds
9
Ring count
5
Aromatic rings
5
Topological polar surface area
258.85 Ų
Computed LogP
-2.11
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
1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3) (CAS 20025-74-5) is maintained as a commercial cas reference with formula C26H13Cl3N7Na3O9S3, molecular weight 838.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.