Research chemical
CAS Number: 1012054-55-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24944930
Exact Mass
462.147011
InChIKey
RQYVKBOWLRVISJ-UHFFFAOYSA-N
IUPAC Name
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
SMILES String
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
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.
7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide is identified by CAS 1012054-55-5, with molecular formula C22H24ClFN4O4, molecular weight 462.9, InChIKey RQYVKBOWLRVISJ-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-2. These records do not establish therapeutic efficacy or clinical use.
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.
XLogP
4.5
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
8
H-bond donors
3
Rotatable bonds
11
Ring count
3
Aromatic rings
3
Topological polar surface area
105.6 Ų
Computed LogP
5.01
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
7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide (CAS 1012054-55-5) is an English MolGraph catalog reference, molecular formula C22H24ClFN4O4 and molecular weight 462. 90 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
ChEMBL reports experimental activity evidence for: Epidermal growth factor receptor (Homo sapiens) — 3 assays; Receptor tyrosine-protein kinase erbB-2 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Epidermal growth factor receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 8.51
Experimental evidence source: ChEMBL
Receptor tyrosine-protein kinase erbB-2
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 7.72
Experimental evidence source: ChEMBL
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.