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CAS 211859-75-5 m-PEG10-Tos molecular structure lightbox
CAS RN: 211859-75-5

m-PEG10-Tos

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250909 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS211859-75-5
  • Purity/Analytical Methods: >99.0%
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211859-75-5 / 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 211859-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211859-75-5
Multi CAS
No
Molecular Formula
C26H46O12S
Molecular Weight
582.700000
Exact Mass
582.270998
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChI
InChI=1S/C26H46O12S/c1-25-3-5-26(6-4-25)39(27,28)38-24-23-37-22-21-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-10-9-30-8-7-29-2/h3-6H,7-24H2,1-2H3
InChIKey
YBECQBPDHSONPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
29
H-bond acceptors
12
Molar refractivity
142.74
TPSA
126.44

LogP / Solubility

WLOGP
1.48
MLOGP
1.35
XLogP3
0.1
Consensus LogP
0.98
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.16
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)
-5.22

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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