Research chemical
CAS Number: 68155-62-4
![1,3-Naphthalenedisulfonic acid, 7-[2-[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2) molecular structure, CAS 68155-62-4](/structure-images/68155-62-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
109660
Exact Mass
655.973912
InChIKey
PJFSGBWVNVLHPM-UHFFFAOYSA-L
IUPAC Name
disodium;7-[[2-acetamido-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate
SMILES String
CC(=O)NC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[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-Naphthalenedisulfonic acid, 7-[2-[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2) is identified by CAS 68155-62-4, with molecular formula C22H13ClF2N6Na2O7S2, molecular weight 656.9, InChIKey PJFSGBWVNVLHPM-UHFFFAOYSA-L.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
13
H-bond donors
2
Rotatable bonds
7
Ring count
4
Aromatic rings
4
Topological polar surface area
206.03 Ų
Computed LogP
-1.5
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-Naphthalenedisulfonic acid, 7-[2-[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2) (CAS 68155-62-4) is maintained as a commercial cas reference with formula C22H13ClF2N6Na2O7S2, molecular weight 656.
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.