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CAS 2097604-01-6 Ms-PEG8-t-butyl ester molecular structure lightbox
CAS RN: 2097604-01-6

Ms-PEG8-t-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2097604-01-6
  • Purity/Analytical Methods: >99.0%
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2097604-01-6 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2097604-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097604-01-6
Multi CAS
No
Molecular Formula
C24H48O13S
Molecular Weight
576.700000
Exact Mass
576.281563
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C24H48O13S/c1-24(2,3)37-23(25)5-6-28-7-8-29-9-10-30-11-12-31-13-14-32-15-16-33-17-18-34-19-20-35-21-22-36-38(4,26)27/h5-22H2,1-4H3
InChIKey
ARFPSYCSFDJABG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.96
Rotatable bonds
28
H-bond acceptors
13
Molar refractivity
137.81
TPSA
143.51

LogP / Solubility

WLOGP
0.83
MLOGP
0.77
XLogP3
-0.7
Consensus LogP
0.3
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.46
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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