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What are the key identifiers for 2-{[11-acetyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-benzylacetamide (CAS 1219221-47-2)?
2-{[11-acetyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-benzylacetamide is identified by CAS 1219221-47-2, with molecular formula C27H26N4O3S2, molecular weight 518.7, InChIKey IJKCNVGVMPUNRT-UHFFFAOYSA-N.
Can I request a COA for CAS 1219221-47-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-{[11-acetyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-benzylacetamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1219221-47-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
36
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
84.3 Ų
Computed LogP
4.07
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.
Catalog Facts
Structural features
2-{[11-acetyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7. 4. 0. 0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-benzylacetamide (CAS 1219221-47-2) is maintained as a commercial cas reference with formula C27H26N4O3S2, molecular weight 518.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
![2-{[11-acetyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-benzylacetamide molecular structure, CAS 1219221-47-2](/structure-images/1219221-47-2.png?v=struct-v2)