Research chemical
CAS Number: 2230142-12-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164889455
Exact Mass
594.078538
InChIKey
IQROZBACDZIBBT-FSRHSHDFSA-N
IUPAC Name
5-chloro-2-fluoro-4-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILES String
O=C(O)C(F)(F)F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H](CN2CCCC2)c2ccccc2)cc1F
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(S)-5-chloro-2-fluoro-4-((1-phenyl-2-(pyrrolidin-1-yl)ethyl)amino)-N-(thiazol-2-yl)benzenesulfonamide trifluoroacetate is identified by CAS 2230142-12-6, with molecular formula C23H23ClF4N4O4S2, molecular weight 595, InChIKey IQROZBACDZIBBT-FSRHSHDFSA-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
38
H-bond acceptors
8
H-bond donors
3
Rotatable bonds
8
Ring count
4
Aromatic rings
3
Topological polar surface area
111.63 Ų
Computed LogP
5.62
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
(S)-5-chloro-2-fluoro-4-((1-phenyl-2-(pyrrolidin-1-yl)ethyl)amino)-N-(thiazol-2-yl)benzenesulfonamide trifluoroacetate (CAS 2230142-12-6) is maintained as a commercial cas reference with formula C23H23ClF4N4O4S2, molecular weight 595.
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.