Research chemical
CAS Number: 2546091-70-5
![2,7-Bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl)amino)-9-(4-(pyrrolidin-1-ylmethyl)phenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure, CAS 2546091-70-5](/structure-images/2546091-70-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155318440
Exact Mass
791.437033
InChIKey
TZQVPFRBHPQZNM-UHFFFAOYSA-N
IUPAC Name
14-hydroxy-6,13-bis(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethylimino)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione
SMILES String
O=c1c2c(=NCCN3CCCC3)cc3c(=O)n(CCCN4CCOCC4)c(=O)c4c(-c5ccc(CN6CCCC6)cc5)cc(c(O)n1CCCN1CCOCC1)c2c4-3
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.
2,7-Bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl)amino)-9-(4-(pyrrolidin-1-ylmethyl)phenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone is identified by CAS 2546091-70-5, with molecular formula C45H57N7O6, molecular weight 792, InChIKey TZQVPFRBHPQZNM-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
58
H-bond acceptors
13
H-bond donors
1
Rotatable bonds
14
Ring count
9
Aromatic rings
3
Topological polar surface area
125.08 Ų
Computed LogP
3.07
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
00 g/mol, PubChem CID 155318440.
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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