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CAS 2055048-43-4 Mal-PEG8-t-butyl ester molecular structure lightbox
CAS RN: 2055048-43-4

Mal-PEG8-t-butyl ester

  • Product code: SSC-096672
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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: 1g
  • 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 2055048-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

2055048-43-4 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055048-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055048-43-4
Multi CAS
No
Molecular Formula
C27H47NO12
Molecular Weight
577.700000
Exact Mass
577.309826
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C27H47NO12/c1-27(2,3)40-26(31)6-8-32-10-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-33-9-7-28-24(29)4-5-25(28)30/h4-5H,6-23H2,1-3H3
InChIKey
HAOLDMZFBZWLAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.81
Rotatable bonds
27
H-bond acceptors
12
Molar refractivity
142.87
TPSA
137.52

LogP / Solubility

WLOGP
0.78
MLOGP
0.73
XLogP3
-0.9
Consensus LogP
0.2
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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)
-5.69

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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