Research chemical
CAS Number: 1322013-94-4
![(E)-4-methoxy-N'-phenyl-N-[(6Z)-2,2,4-trimethoxy-7-phenyl-6H,7H-2lambda5-[1,3]thiazolo[4,5-d][1,3,2]diazaphosphinin-6-ylidene]benzene-1-carboximidamide molecular structure, CAS 1322013-94-4](/structure-images/1322013-94-4.png?v=struct-v3)
Product details
PubChem CID
12019573
Exact Mass
547.144313
InChIKey
VQZCGXGBRVMWMY-UHFFFAOYSA-N
IUPAC Name
4-methoxy-N'-phenyl-N-(3,3,5-trimethoxy-9-phenyl-7-thia-2,4,9-triaza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4-trien-8-ylidene)benzenecarboximidamide
SMILES String
COC1=NP(OC)(OC)=Nc2c1sc(=NC(=Nc1ccccc1)c1ccc(OC)cc1)n2-c1ccccc1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(E)-4-methoxy-N'-phenyl-N-[(6Z)-2,2,4-trimethoxy-7-phenyl-6H,7H-2lambda5-[1,3]thiazolo[4,5-d][1,3,2]diazaphosphinin-6-ylidene]benzene-1-carboximidamide is identified by CAS 1322013-94-4, with molecular formula C27H26N5O4PS, molecular weight 547.6, InChIKey VQZCGXGBRVMWMY-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
38
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
91.29 Ų
Computed LogP
6.5
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
60 g/mol, PubChem CID 12019573.
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, phosphine-ligand motif.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.