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CAS 2055024-43-4 Propargyl-PEG4-Sulfone-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2055024-43-4

Propargyl-PEG4-Sulfone-PEG4-t-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055024-43-4
  • Purity/Analytical Methods: >99.0%
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2055024-43-4 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055024-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055024-43-4
Multi CAS
No
Molecular Formula
C26H48O12S
Molecular Weight
584.700000
Exact Mass
584.286648
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCC#C
InChI
InChI=1S/C26H48O12S/c1-5-7-30-9-11-32-13-15-34-17-19-36-21-23-39(28,29)24-22-37-20-18-35-16-14-33-12-10-31-8-6-25(27)38-26(2,3)4/h1H,6-24H2,2-4H3
InChIKey
CWRIXFFIEVWNLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.88
Rotatable bonds
28
H-bond acceptors
12
Molar refractivity
144.5
TPSA
134.28

LogP / Solubility

WLOGP
0.9
MLOGP
0.84
XLogP3
-0.7
Consensus LogP
0.35
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.57
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)
-5.65

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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