Research chemical
CAS Number: 106469-57-2
![but-2-enedioic acid;bis(4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile) molecular structure, CAS 106469-57-2](/structure-images/106469-57-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
75088614
Exact Mass
690.337712
InChIKey
ZSBITJKBOWVCCI-UHFFFAOYSA-N
SMILES String
CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12.CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12.O=C(O)C=CC(=O)O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
but-2-enedioic acid;bis(4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile) is identified by CAS 106469-57-2, with molecular formula C36H46N6O8, molecular weight 690.8, InChIKey ZSBITJKBOWVCCI-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.
Heavy atom count
50
H-bond acceptors
14
H-bond donors
8
Rotatable bonds
12
Ring count
4
Aromatic rings
4
Topological polar surface area
236.74 Ų
Computed LogP
4.05
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
but-2-enedioic acid;bis(4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile) (CAS 106469-57-2) is maintained as a cataloged research chemical with formula C36H46N6O8, molecular weight 690. 80 g/mol, PubChem CID 75088614.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.