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CAS 130955-38-3 m-PEG6-Ms molecular structure lightbox
CAS RN: 130955-38-3

m-PEG6-Ms

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS130955-38-3
  • Purity/Analytical Methods: >99.0%
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130955-38-3 / 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

Standard CAS: 130955-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130955-38-3
Multi CAS
No
Molecular Formula
C12H26O8S
Molecular Weight
330.400000
Exact Mass
330.134839
SMILES
COCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C12H26O8S/c1-15-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-21(2,13)14/h3-12H2,1-2H3
InChIKey
GIZXGFFADYUCPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
75.95
TPSA
89.52

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.27
XLogP3
-1.1
Consensus LogP
-0.56
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-4.97

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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