Research chemical
CAS Number: 393875-19-9
![Ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate molecular structure, CAS 393875-19-9](/structure-images/393875-19-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3487958
Exact Mass
622.166825
InChIKey
WALQSJXLXRIHET-UHFFFAOYSA-N
SMILES String
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate is identified by CAS 393875-19-9, with molecular formula C29H30N6O6S2, molecular weight 622.7, InChIKey WALQSJXLXRIHET-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
43
H-bond acceptors
12
H-bond donors
2
Rotatable bonds
12
Ring count
4
Aromatic rings
4
Topological polar surface area
152.59 Ų
Computed LogP
3.36
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
Ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate (CAS 393875-19-9) is maintained as a commercial cas reference with formula C29H30N6O6S2, molecular weight 622.
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.