Research chemical
CAS Number: 1115405-72-5
![7-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-[(3-fluorobenzyl)thio]-3-(3-methoxyphenyl)quinazolin-4(3H)-one molecular structure, CAS 1115405-72-5](/structure-images/1115405-72-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46362504
Exact Mass
551.167891
InChIKey
NRXHPRDAEWOHEF-UHFFFAOYSA-N
IUPAC Name
7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
SMILES String
COc1cccc(-n2c(SCc3cccc(F)c3)nc3cc(C(=O)N4CCc5ccccc5C4)ccc3c2=O)c1
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.
7-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-[(3-fluorobenzyl)thio]-3-(3-methoxyphenyl)quinazolin-4(3H)-one is identified by CAS 1115405-72-5, with molecular formula C32H26FN3O3S, molecular weight 551.6, InChIKey NRXHPRDAEWOHEF-UHFFFAOYSA-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
40
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
5
Topological polar surface area
64.43 Ų
Computed LogP
6.02
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
7-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-[(3-fluorobenzyl)thio]-3-(3-methoxyphenyl)quinazolin-4(3H)-one (CAS 1115405-72-5) is maintained as a commercial cas reference with formula C32H26FN3O3S, molecular weight 551. 60 g/mol, PubChem CID 46362504.
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.