Research chemical
CAS Number: 1201641-98-6
![8,13-Dihydro-15,15-dimethyl-3,10-dinitro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,17H)-tetrone molecular structure, CAS 1201641-98-6](/structure-images/1201641-98-6.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
58479525
Exact Mass
456.102961
InChIKey
GZAMSMWWRSQISH-UHFFFAOYSA-N
IUPAC Name
14,14-dimethyl-8,20-dinitro-2,5,12,16-tetrazatricyclo[15.4.0.06,11]henicosa-1(17),6(11),7,9,18,20-hexaene-3,4,13,15-tetrone
SMILES String
CC1(C)C(=O)Nc2ccc([N+](=O)[O-])cc2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2NC1=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
14
H-bond donors
4
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
202.68 Ų
Computed LogP
2
Structural features
8,13-Dihydro-15,15-dimethyl-3,10-dinitro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,17H)-tetrone (CAS 1201641-98-6) is maintained as a commercial cas reference with formula C19H16N6O8, molecular weight 456. 40 g/mol, PubChem CID 58479525.
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.
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Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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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.
8,13-Dihydro-15,15-dimethyl-3,10-dinitro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,17H)-tetrone 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
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.
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.
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.