Research chemical
CAS Number: 1585969-27-2
![(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride molecular structure, CAS 1585969-27-2](/structure-images/1585969-27-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
119081440
Exact Mass
639.228014
InChIKey
XIEVQHFLPZHVSW-UUKHLAGGSA-N
IUPAC Name
(6S)-6-phenyl-3,10-bis[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazine;dihydrochloride
SMILES String
Cl.Cl.c1ccc([C@@H]2Oc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3-c3cc4cc(-c5cnc([C@@H]6CCCN6)[nH]5)ccc4n32)cc1
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.
(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride is identified by CAS 1585969-27-2, with molecular formula C35H35Cl2N7O, molecular weight 640.6, InChIKey XIEVQHFLPZHVSW-UUKHLAGGSA-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
45
H-bond acceptors
8
H-bond donors
4
Rotatable bonds
5
Ring count
9
Aromatic rings
6
Topological polar surface area
95.58 Ų
Computed LogP
7.72
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.
Structural features
(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride (CAS 1585969-27-2) is maintained as a commercial cas reference with formula C35H35Cl2N7O, molecular weight 640.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.