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CAS 2055041-02-4 m-PEG3-Sulfone-PEG4-propargyl molecular structure lightbox
CAS RN: 2055041-02-4

m-PEG3-Sulfone-PEG4-propargyl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055041-02-4
  • Purity/Analytical Methods: >99.0%
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2055041-02-4 / 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

Standard CAS: 2055041-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-02-4
Multi CAS
No
Molecular Formula
C18H34O9S
Molecular Weight
426.500000
Exact Mass
426.192354
SMILES
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCC#C
InChI
InChI=1S/C18H34O9S/c1-3-4-22-7-8-24-9-10-25-12-14-27-16-18-28(19,20)17-15-26-13-11-23-6-5-21-2/h1H,4-18H2,2H3
InChIKey
RZOCFVBQMWCPJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.89
Rotatable bonds
22
H-bond acceptors
9
Molar refractivity
104.28
TPSA
98.75

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.17
XLogP3
-1.3
Consensus LogP
-0.56
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-5.48

Drug-likeness / Medicinal Chemistry

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

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