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CAS 698387-09-6 Neratinib molecular structure lightbox
CAS RN: 698387-09-6

Neratinib

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 5mg / 25mg / 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251025 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250711 10g In stock Shanghai Inquiry
Batchno.20250802 10mg In stock Shanghai Inquiry
Batchno.20260301 1g In stock Shanghai Inquiry
Batchno.20260514 1mg In stock Shanghai Inquiry
Batchno.20251205 250mg In stock Shanghai Inquiry
Batchno.20250813 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260129 5g In stock Shanghai, Tianjin Inquiry
Batchno.20251020 5mg In stock Shanghai Inquiry
  • Product code: SSC-179610
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 698387-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

698387-09-6 / (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide

Standard CAS: 698387-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
698387-09-6
Multi CAS
Yes
Molecular Formula
C30H29CLN6O3
Molecular Weight
557.000000
Exact Mass
556.198967
InChI
InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChIKey
JWNPDZNEKVCWMY-VQHVLOKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
22
Fraction Csp3
0.2
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
157.25
TPSA
112.4

LogP / Solubility

WLOGP
5.93
MLOGP
5.26
XLogP3
4.9
Consensus LogP
5.36
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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