Research chemical
CAS Number: 694501-69-4
![N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide molecular structure, CAS 694501-69-4](/structure-images/694501-69-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2947872
Exact Mass
597.160139
InChIKey
FNJFIEFJZYSJRY-UHFFFAOYSA-N
SMILES String
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1Cc1ccccc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is identified by CAS 694501-69-4, with molecular formula C32H28ClN5O3S, molecular weight 598.1, InChIKey FNJFIEFJZYSJRY-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
42
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
11
Ring count
5
Aromatic rings
5
Topological polar surface area
98.14 Ų
Computed LogP
7.03
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-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide (CAS 694501-69-4) is maintained as a commercial cas reference with formula C32H28ClN5O3S, molecular weight 598. 10 g/mol, PubChem CID 2947872.
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.