Research chemical
CAS Number: 2769753-53-7
![(2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-(4-{5-[(8-methyl-6-{2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl}-7-oxo-5H,6H,7H,8H-pyrimido[4,5-d][1,3]diazin-2-yl)amino]pyridin-2-yl}piperazin-1-yl)pentanamido]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide molecular structure, CAS 2769753-53-7](/structure-images/2769753-53-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
165412588
Exact Mass
1143.508833
InChIKey
BTJSSCWASCIGSE-OWEXABFXSA-N
IUPAC Name
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-pyridinyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILES String
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccc(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)nc3)nc2N(C)C1=O
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.
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-(4-{5-[(8-methyl-6-{2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl}-7-oxo-5H,6H,7H,8H-pyrimido[4,5-d][1,3]diazin-2-yl)amino]pyridin-2-yl}piperazin-1-yl)pentanamido]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is identified by CAS 2769753-53-7, with molecular formula C59H68F3N13O6S, molecular weight 1144.3, InChIKey BTJSSCWASCIGSE-OWEXABFXSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Ordering
Quote required
Pricing and stock are confirmed on request.
Send the quantity and destination for a current sourcing check.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
82
H-bond acceptors
19
H-bond donors
5
Rotatable bonds
17
Ring count
9
Aromatic rings
6
Topological polar surface area
221.46 Ų
Computed LogP
8.87
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
30 g/mol, PubChem CID 165412588.
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.
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.
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.