Research chemical
CAS Number: 1289646-72-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
57992280
Exact Mass
443.120755
InChIKey
GNJLKXCOYZKBEG-UHFFFAOYSA-N
IUPAC Name
5,7-dichloro-2-trityl-3,4-dihydro-1H-isoquinoline
SMILES String
Clc1cc(Cl)c2c(c1)CN(C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2
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.
5,7-Dichloro-2-trityl-1,2,3,4-tetrahydroisoquinoline is identified by CAS 1289646-72-5, with molecular formula C28H23Cl2N, molecular weight 444.4, InChIKey GNJLKXCOYZKBEG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
7.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
4
Ring count
5
Aromatic rings
4
Topological polar surface area
3.24 Ų
Computed LogP
7.34
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
5,7-Dichloro-2-trityl-1,2,3,4-tetrahydroisoquinoline (CAS 1289646-72-5) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C28H23Cl2N and molecular weight 444. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS 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.