Research chemical
CAS Number: 5580-58-5
Product details
PubChem CID
110675
Exact Mass
956.054647
InChIKey
ADHAFJLXGIAZAN-UHFFFAOYSA-N
IUPAC Name
4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide
SMILES String
CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)N=NC(C(=O)C)C(=O)NC3=CC(=C(C=C3Cl)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)Cl)C)Cl)Cl
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
3,3'-((2,5-dichloro-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo))bis(4-chloro-N-(5-chloro-o-tolyl)benzamide) is identified by CAS 5580-58-5, with molecular formula C42H32Cl6N8O6, molecular weight 957.5, InChIKey ADHAFJLXGIAZAN-UHFFFAOYSA-N.
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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
62
H-bond acceptors
14
H-bond donors
4
Rotatable bonds
14
Ring count
5
Aromatic rings
5
Topological polar surface area
199.98 Ų
Computed LogP
12.09
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
3,3'-((2,5-dichloro-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo))bis(4-chloro-N-(5-chloro-o-tolyl)benzamide) (CAS 5580-58-5) is maintained as a commercial cas reference with formula C42H32Cl6N8O6, molecular weight 957. 50 g/mol, PubChem CID 110675.
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.