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CAS 2093153-97-8 N-(Amino-PEG4)-N-bis(PEG4-t-butyl ester) molecular structure lightbox
CAS RN: 2093153-97-8

N-(Amino-PEG4)-N-bis(PEG4-t-butyl ester)

  • Product code: SSC-099127
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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
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 2093153-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry

2093153-97-8 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2093153-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093153-97-8
Multi CAS
No
Molecular Formula
C40H80N2O16
Molecular Weight
845.100000
Exact Mass
844.550784
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCN
InChI
InChI=1S/C40H80N2O16/c1-39(2,3)57-37(43)7-13-45-19-25-51-31-34-54-28-22-48-16-10-42(12-18-50-24-30-56-36-33-53-27-21-47-15-9-41)11-17-49-23-29-55-35-32-52-26-20-46-14-8-38(44)58-40(4,5)6/h7-36,41H2,1-6H3
InChIKey
HDYQXCFGWDQGRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.95
Rotatable bonds
44
H-bond acceptors
18
H-bond donors
1
Molar refractivity
216.25
TPSA
192.62

LogP / Solubility

WLOGP
1.91
MLOGP
1.76
XLogP3
-0.8
Consensus LogP
0.96
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.02
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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