Research chemical
CAS Number: 2413896-41-8
![5-Phenyl-2,6,7,12-tetraazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4-trien-8-one dihydrochloride molecular structure, CAS 2413896-41-8](/structure-images/2413896-41-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
146049762
Exact Mass
338.070117
InChIKey
QQFBUEORMSHXCR-UHFFFAOYSA-N
IUPAC Name
5-phenyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one;dihydrochloride
SMILES String
Cl.Cl.O=c1c2c(nc3cc(-c4ccccc4)[nH]n13)CNCC2
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5-Phenyl-2,6,7,12-tetraazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4-trien-8-one dihydrochloride is identified by CAS 2413896-41-8, with molecular formula C15H16Cl2N4O, molecular weight 339.2, InChIKey QQFBUEORMSHXCR-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
22
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
1
Ring count
4
Aromatic rings
3
Topological polar surface area
62.19 Ų
Computed LogP
2.18
Fragment-like structure rule
No
Lead-like structure rule
Yes
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.
Structural features
5-Phenyl-2,6,7,12-tetraazatricyclo[7. 4. 0. 0,3,7]trideca-1(9),2,4-trien-8-one dihydrochloride (CAS 2413896-41-8) is maintained as a commercial cas reference with formula C15H16Cl2N4O, molecular weight 339. 20 g/mol, PubChem CID 146049762.
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, lead-like structure profile, drug-like rule profile.
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.