Research chemical
CAS Number: 1216457-53-2
![N-(2-(dimethylamino)ethyl)-N-(6-nitrobenzo[d]thiazol-2-yl)-4-tosylbutanamide hydrochloride molecular structure, CAS 1216457-53-2](/structure-images/1216457-53-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
18585702
Exact Mass
526.11114
InChIKey
ZPVIUZNIFLWKHP-UHFFFAOYSA-N
IUPAC Name
N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
SMILES String
Cc1ccc(S(=O)(=O)CCCC(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)cc1.Cl
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.
N-(2-(dimethylamino)ethyl)-N-(6-nitrobenzo[d]thiazol-2-yl)-4-tosylbutanamide hydrochloride is identified by CAS 1216457-53-2, with molecular formula C22H27ClN4O5S2, molecular weight 527.1, InChIKey ZPVIUZNIFLWKHP-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
34
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
10
Ring count
3
Aromatic rings
3
Topological polar surface area
113.72 Ų
Computed LogP
4.08
Fragment-like structure rule
No
Lead-like structure rule
No
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.
Structural features
N-(2-(dimethylamino)ethyl)-N-(6-nitrobenzo[d]thiazol-2-yl)-4-tosylbutanamide hydrochloride (CAS 1216457-53-2) is maintained as a commercial cas reference with formula C22H27ClN4O5S2, molecular weight 527. 10 g/mol, PubChem CID 18585702.
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, drug-like rule profile.
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.