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CAS 439081-18-2 Afatinib (BIBW 2992) molecular structure lightbox
CAS RN: 439081-18-2

Afatinib (BIBW 2992)

Product Availability

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14 package records13 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 10mg In stock Inquiry
Batchno.20260624 1g In stock Inquiry
Batchno.20250804 250mg In stock Inquiry
Batchno.20250622 50mg In stock Inquiry
Batchno.20260119 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai Inquiry
Batchno.20260310 1g In stock Shanghai Inquiry
Batchno.20250120 250mg In stock Shanghai Inquiry
Batchno.20260527 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 10mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 1g In stock Inquiry
Batchno.20250831 250mg In stock Inquiry
Batchno.20260615 50mg In stock Inquiry
  • Product code: SSC-151964
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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, 5g
  • Available purity: ＞97%
  • 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 439081-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

439081-18-2 / (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

Standard CAS: 439081-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
439081-18-2
Multi CAS
Yes
Molecular Formula
C24H25CLFN5O3
Molecular Weight
485.900000
Exact Mass
485.162996
InChI
InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
InChIKey
ULXXDDBFHOBEHA-CWDCEQMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
130.41
TPSA
88.61

LogP / Solubility

WLOGP
4.39
MLOGP
3.9
XLogP3
3.6
Consensus LogP
3.96
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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