Research chemical
CAS Number: 2772612-96-9
![(3S)-N-(11-{4-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]piperazin-1-yl}-11-oxoundecyl)-3-{[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]formamido}-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide molecular structure, CAS 2772612-96-9](/structure-images/2772612-96-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164517155
Exact Mass
1150.524087
InChIKey
VDUPETHSNLCFNB-HHHFUCLFSA-N
IUPAC Name
(2S,4R)-N-[(1S)-3-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecyl]amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
SMILES String
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(C)no2)C(C)C)c2ccc(-c3scnc3C)cc2)CC1
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.
(3S)-N-(11-{4-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]piperazin-1-yl}-11-oxoundecyl)-3-{[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]formamido}-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide is identified by CAS 2772612-96-9, with molecular formula C60H76ClFN10O8S, molecular weight 1151.8, InChIKey VDUPETHSNLCFNB-HHHFUCLFSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
81
H-bond acceptors
18
H-bond donors
4
Rotatable bonds
28
Ring count
8
Aromatic rings
6
Topological polar surface area
217.48 Ų
Computed LogP
10.09
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
80 g/mol, PubChem CID 164517155.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.