Research chemical
CAS Number: 1076198-22-5
![4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-YL]benzenesulfonamide molecular structure, CAS 1076198-22-5](/structure-images/1076198-22-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
57363779
Exact Mass
541.118668
InChIKey
IJMIBRWHOCGOGQ-UHFFFAOYSA-N
IUPAC Name
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILES String
COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)CO)cc1
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.
4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-YL]benzenesulfonamide is identified by CAS 1076198-22-5, with molecular formula C25H24ClN5O5S, molecular weight 542, InChIKey IJMIBRWHOCGOGQ-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
37
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
9
Ring count
4
Aromatic rings
4
Topological polar surface area
136.42 Ų
Computed LogP
4.46
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
4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-YL]benzenesulfonamide (CAS 1076198-22-5) is maintained as a cataloged research chemical with formula C25H24ClN5O5S, molecular weight 542. 00 g/mol, PubChem CID 57363779.
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, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS Request