Research chemical
CAS Number: 2253640-49-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
137935722
Exact Mass
490.170701
InChIKey
DAMOOQKWLUXEGI-UHFFFAOYSA-N
IUPAC Name
4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;hydrochloride
SMILES String
Cl.NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1
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.
PKC-theta inhibitor hcl is identified by CAS 2253640-49-0, with molecular formula C20H26ClF3N6O3, molecular weight 490.9, InChIKey DAMOOQKWLUXEGI-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
33
H-bond acceptors
9
H-bond donors
4
Rotatable bonds
9
Ring count
3
Aromatic rings
2
Topological polar surface area
128.23 Ų
Computed LogP
4.49
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
PKC-theta inhibitor hcl (CAS 2253640-49-0) is maintained as a commercial cas reference with formula C20H26ClF3N6O3, molecular weight 490. 90 g/mol, PubChem CID 137935722.
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.