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Computed Structure Descriptors
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What are the key identifiers for 11-(4-Methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CAS 1212311-51-7)?
11-(4-Methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is identified by CAS 1212311-51-7, with molecular formula C28H21N3O6, molecular weight 495.5, InChIKey ARROASCPBJVBSE-UHFFFAOYSA-N.
Can I request a COA for CAS 1212311-51-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 11-(4-Methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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Show calculated structure fields
Heavy atom count
37
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
5
Ring count
6
Aromatic rings
3
Topological polar surface area
110.06 Ų
Computed LogP
4
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
11-(4-Methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8. 6. 0. 02,7. 012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CAS 1212311-51-7) is maintained as a commercial cas reference with formula C28H21N3O6, molecular weight 495.
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.
![11-(4-Methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione molecular structure, CAS 1212311-51-7](/structure-images/1212311-51-7.png?v=struct-v2)