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CAS 1122484-77-8 H2N-PEG2-CH2COOtBu molecular structure lightbox
CAS RN: 1122484-77-8

H2N-PEG2-CH2COOtBu

  • Product code: SSC-012710
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1122484-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1122484-77-8 / tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate

H2N-PEG2-CH2COOtBu | tert-butyl 2-(2-(2-aminoethoxy)ethoxy)acetate | 8-Amino-3,6-dioxaoctanoic Acid tert-butyl Ester

Standard CAS: 1122484-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1122484-77-8
Multi CAS
Yes
Molecular Formula
C10H21NO4
Molecular Weight
219.280000
Exact Mass
219.147058
SMILES
CC(C)(C)OC(=O)COCCOCCN
InChI
InChI=1S/C10H21NO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8,11H2,1-3H3
InChIKey
WFBRWOZVLSLRSZ-UHFFFAOYSA-N
Synonyms
H2N-PEG2-CH2COOtBu tert-butyl 2-(2-(2-aminoethoxy)ethoxy)acetate 8-Amino-3,6-dioxaoctanoic Acid tert-butyl Ester tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate MFCD24395885

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.54
TPSA
70.78

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
-0.1
Consensus LogP
0.17
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.83

Drug-likeness / Medicinal Chemistry

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

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