Research chemical
CAS Number: 298218-16-3
![2-{[4,6-bis({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,5-triazin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide molecular structure, CAS 298218-16-3](/structure-images/298218-16-3.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
5203795
Exact Mass
630.078937
InChIKey
ZLBYQUWHMUOYRA-UHFFFAOYSA-N
IUPAC Name
2-[[4,6-bis[[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILES String
O=C(CSc1nc(SCC(=O)Nc2ccc(F)cc2)nc(SCC(=O)Nc2ccc(F)cc2)n1)Nc1ccc(F)cc1
No physical property values available.
XLogP
5.5
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
9
H-bond donors
3
Rotatable bonds
12
Ring count
4
Aromatic rings
4
Topological polar surface area
125.97 Ų
Computed LogP
5.48
Structural features
2-{[4,6-bis({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,5-triazin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide (CAS 298218-16-3) is listed in the Materials Science portfolio, with molecular formula C27H21F3N6O3S3 and molecular weight 630. 70 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for materials chemistry research and formulation screening workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2-{[4,6-bis({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,5-triazin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestHazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P330, P362, P403+P233, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.