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CAS 2112737-71-8 N-(Aminooxy-PEG2)-N-bis(PEG3-propargyl) molecular structure lightbox
CAS RN: 2112737-71-8

N-(Aminooxy-PEG2)-N-bis(PEG3-propargyl)

  • Product code: SSC-100864
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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 2112737-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

2112737-71-8 / O-[2-[2-[2-[bis[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethyl]hydroxylamine

Standard CAS: 2112737-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112737-71-8
Multi CAS
No
Molecular Formula
C24H44N2O9
Molecular Weight
504.600000
Exact Mass
504.304681
SMILES
C#CCOCCOCCOCCN(CCOCCOCCOCC#C)CCOCCOCCON
InChI
InChI=1S/C24H44N2O9/c1-3-8-27-13-18-32-20-15-29-10-5-26(7-12-31-17-22-34-23-24-35-25)6-11-30-16-21-33-19-14-28-9-4-2/h1-2H,5-25H2
InChIKey
WGCOEHNJZCCDJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.83
Rotatable bonds
29
H-bond acceptors
11
H-bond donors
1
Molar refractivity
130.8
TPSA
112.33

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.33
XLogP3
-1.6
Consensus LogP
-0.78
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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