Research chemical
CAS Number: 405898-03-5
![N,N'-(pyrimidine-2,5-diyldibenzene-4,1-diyl)bis{2-[(2,4-dichlorobenzyl)sulfanyl]acetamide} molecular structure, CAS 405898-03-5](/structure-images/405898-03-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3889071
Exact Mass
728.022179
InChIKey
NCKJJICWPKNUNQ-UHFFFAOYSA-N
IUPAC Name
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[4-[2-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
SMILES String
O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CSCc4ccc(Cl)cc4Cl)cc3)nc2)cc1
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.
N,N'-(pyrimidine-2,5-diyldibenzene-4,1-diyl)bis{2-[(2,4-dichlorobenzyl)sulfanyl]acetamide} is identified by CAS 405898-03-5, with molecular formula C34H26Cl4N4O2S2, molecular weight 728.5, InChIKey NCKJJICWPKNUNQ-UHFFFAOYSA-N.
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
46
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
12
Ring count
5
Aromatic rings
5
Topological polar surface area
83.98 Ų
Computed LogP
10.17
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
N,N'-(pyrimidine-2,5-diyldibenzene-4,1-diyl)bis{2-[(2,4-dichlorobenzyl)sulfanyl]acetamide} (CAS 405898-03-5) is maintained as a commercial cas reference with formula C34H26Cl4N4O2S2, molecular weight 728. 50 g/mol, PubChem CID 3889071.
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.