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CAS 841290-81-1 R406 molecular structure lightbox
CAS RN: 841290-81-1

R406

Product Availability

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11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 100mg In stock Inquiry
Batchno.20260128 250mg In stock Inquiry
Batchno.20260325 25mg In stock Inquiry
Batchno.20250902 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100mg In stock Shanghai Inquiry
Batchno.20250603 10mg In stock Shanghai Inquiry
Batchno.20250120 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260425 250mg In stock Shanghai Inquiry
Batchno.20251216 25mg In stock Shanghai Inquiry
Batchno.20251027 5mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 1mg In stock Shanghai Inquiry
  • Product code: SSC-191712
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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: 0.25g
  • 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 841290-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

841290-81-1 / benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Standard CAS: 841290-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
841290-81-1
Multi CAS
Yes
Molecular Formula
C28FH29N6O8S
Molecular Weight
628.600000
Exact Mass
628.175161
InChI
InChI=1S/C22H23FN6O5.C6H6O3S/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;7-10(8,9)6-4-2-1-3-5-6/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30);1-5H,(H,7,8,9)
InChIKey
UXDRJPYSTZHIOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
4
Molar refractivity
158.48
TPSA
183.12

LogP / Solubility

WLOGP
4.57
MLOGP
4.07
XLogP3
4.57
Consensus LogP
4.4
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31

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
5

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