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CAS 850080-13-6 (2,5-Dioxopyrrolidin-1-yl) 11-azidoundecanoate molecular structure lightbox
CAS RN: 850080-13-6

(2,5-Dioxopyrrolidin-1-yl) 11-azidoundecanoate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192864
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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 850080-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

850080-13-6 / (2,5-dioxopyrrolidin-1-yl) 11-azidoundecanoate

Standard CAS: 850080-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850080-13-6
Multi CAS
No
Molecular Formula
C15H24N4O4
Molecular Weight
324.380000
Exact Mass
324.179755
InChI
InChI=1S/C15H24N4O4/c16-18-17-12-8-6-4-2-1-3-5-7-9-15(22)23-19-13(20)10-11-14(19)21/h1-12H2
InChIKey
IVJGODXPMKXQTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
82.75
TPSA
112.44

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.41
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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