Research chemical
CAS Number: 442198-67-6
Product details
PubChem CID
11308045
Exact Mass
616.181266
InChIKey
MVJHAYBYNRTWJF-CJHOVAGGSA-N
IUPAC Name
(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidin-1-yl]ethyl]-3-pyridin-2-ylpropanamide
SMILES String
O=C(/C=C/c1ccc(Cl)cc1)N[C@@H](Cc1ccccn1)C(=O)NCC(=O)N1CCC(Oc2cc(C(F)(F)F)ncn2)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.
2-Pyridinepropanamide, alpha-(((2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl)amino)-N-(2-oxo-2-(4-((6-(trifluoromethyl)-4-pyrimidinyl)oxy)-1-piperidinyl)ethyl)-, (alphaS)- is identified by CAS 442198-67-6, with molecular formula C29H28ClF3N6O4, molecular weight 617, InChIKey MVJHAYBYNRTWJF-CJHOVAGGSA-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.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
10
Ring count
4
Aromatic rings
3
Topological polar surface area
126.41 Ų
Computed LogP
3.47
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
00 g/mol, PubChem CID 11308045.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.