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CAS 1426828-06-9 Azide-PEG3-Desthiobiotin molecular structure lightbox
CAS RN: 1426828-06-9

Azide-PEG3-Desthiobiotin

  • Product code: SSC-053490
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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: 0.1g
  • Available purity: ≥93%
  • 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 1426828-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥93% 0 Out of Stock Shenzhen Inquiry

1426828-06-9 / N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

Standard CAS: 1426828-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426828-06-9
Multi CAS
No
Molecular Formula
C18H34N6O5
Molecular Weight
414.500000
Exact Mass
414.259068
SMILES
CC1C(NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C18H34N6O5/c1-15-16(23-18(26)22-15)5-3-2-4-6-17(25)20-7-9-27-11-13-29-14-12-28-10-8-21-24-19/h15-16H,2-14H2,1H3,(H,20,25)(H2,22,23,26)
InChIKey
JIQVKRRASYKCEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
3
Molar refractivity
107.48
TPSA
146.68

LogP / Solubility

WLOGP
1.48
MLOGP
1.33
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

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

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