Research chemical
ST043827
CAS Number: 6602-96-6
Product details
Identity & specification
- Molecular formula
- C17H16BrNO
- Molecular weight
- 330.2 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
670093
Exact Mass
329.04153
InChIKey
ZAGRKFRZHVHDFS-UHFFFAOYSA-N
IUPAC Name
2-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES String
O=C(Cc1ccc(Br)cc1)N1CCc2ccccc2C1
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
20
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
20.31 Ų
Computed LogP
3.58
Fragment-like structure rule
No
Lead-like structure rule
Yes
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.
Catalog Facts
Structural features
ST043827 (CAS 6602-96-6) is maintained as a commercial cas reference with formula C17H16BrNO, molecular weight 330. 20 g/mol, PubChem CID 670093.
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, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for ST043827 (CAS 6602-96-6)?
ST043827 is identified by CAS 6602-96-6, with molecular formula C17H16BrNO, molecular weight 330.2, InChIKey ZAGRKFRZHVHDFS-UHFFFAOYSA-N.
Can I request a COA for CAS 6602-96-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for ST043827?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 6602-96-6 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.