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CAS 82217-01-4 m-PEG9-Tos molecular structure lightbox
CAS RN: 82217-01-4

m-PEG9-Tos

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS82217-01-4
  • Purity/Analytical Methods: >99.0%
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82217-01-4 / 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 82217-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82217-01-4
Multi CAS
No
Molecular Formula
C24H42O11S
Molecular Weight
538.700000
Exact Mass
538.244783
InChI
InChI=1S/C24H42O11S/c1-23-3-5-24(6-4-23)36(25,26)35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-8-7-27-2/h3-6H,7-22H2,1-2H3
InChIKey
PAXJFLMMCORNQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
26
H-bond acceptors
11
Molar refractivity
131.93
TPSA
117.21

LogP / Solubility

WLOGP
1.46
MLOGP
1.33
XLogP3
0.3
Consensus LogP
1.03
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

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)
-4.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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