Research chemical
CAS Number: 385769-80-2
![(6R,12AR)-6-(1,3-Benzodioxol-5-YL)-2,3,6,7,12,12A-hexahydro-2-hydroxypyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione molecular structure, CAS 385769-80-2](/structure-images/385769-80-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10135035
Exact Mass
391.116821
InChIKey
VFQQFIIEJDYAMZ-FOIQADDNSA-N
IUPAC Name
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-hydroxy-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
SMILES String
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1O
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(6R,12AR)-6-(1,3-Benzodioxol-5-YL)-2,3,6,7,12,12A-hexahydro-2-hydroxypyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione is identified by CAS 385769-80-2, with molecular formula C21H17N3O5, molecular weight 391.4, InChIKey VFQQFIIEJDYAMZ-FOIQADDNSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
29
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
1
Ring count
6
Aromatic rings
3
Topological polar surface area
95.1 Ų
Computed LogP
1.97
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.
Structural features
(6R,12AR)-6-(1,3-Benzodioxol-5-YL)-2,3,6,7,12,12A-hexahydro-2-hydroxypyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione (CAS 385769-80-2) is maintained as a commercial cas reference with formula C21H17N3O5, molecular weight 391. 40 g/mol, PubChem CID 10135035.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.