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CAS 51411-04-2 ALRESTATIN molecular structure lightbox
CAS RN: 51411-04-2

ALRESTATIN

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100mg In stock Inquiry
Batchno.20251202 10mg In stock Inquiry
Batchno.20260206 200mg In stock Inquiry
Batchno.20260217 25mg In stock Inquiry
Batchno.20250629 500mg In stock Inquiry
Batchno.20251105 50mg In stock Inquiry
Batchno.20250524 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 100mg In stock Shanghai Inquiry
Batchno.20250613 1g Out of stock Inquiry
Batchno.20250911 250mg In stock Shanghai Inquiry
  • Product code: SSC-158248
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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 51411-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

51411-04-2 / 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid

Standard CAS: 51411-04-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51411-04-2
Multi CAS
Yes
Molecular Formula
C14H9NO4
Molecular Weight
255.220000
Exact Mass
255.053158
InChI
InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
InChIKey
GCUCIFQCGJIRNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.95
TPSA
74.68

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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