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CAS 2279944-69-1 N,N’-DME-N-PEG2-Boc molecular structure lightbox
CAS RN: 2279944-69-1

N,N’-DME-N-PEG2-Boc

  • Product code: SSC-111007
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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 2279944-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2279944-69-1 / tert-butyl 3-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]propanoate

Standard CAS: 2279944-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2279944-69-1
Multi CAS
No
Molecular Formula
C15H32N2O4
Molecular Weight
304.430000
Exact Mass
304.236208
SMILES
CC(C)(C)OC(=O)CCOCCOCCN(C)CCNC
InChI
InChI=1S/C15H32N2O4/c1-15(2,3)21-14(18)6-10-19-12-13-20-11-9-17(5)8-7-16-4/h16H,6-13H2,1-5H3
InChIKey
VROYCYWEWWSVEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.52
TPSA
60.03

LogP / Solubility

WLOGP
0.9
MLOGP
0.81
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

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

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