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CAS 2050595-03-2 mPEG12-OH molecular structure lightbox
CAS RN: 2050595-03-2

mPEG12-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2050595-03-2
  • Purity/Analytical Methods: >99.0%
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2050595-03-2 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 2050595-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2050595-03-2
Multi CAS
No
Molecular Formula
C25H52O13
Molecular Weight
560.700000
Exact Mass
560.340792
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3
InChIKey
PLQZJIIDLZRWBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
35
H-bond acceptors
13
H-bond donors
1
Molar refractivity
137.97
TPSA
130.99

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.13
XLogP3
-2.2
Consensus LogP
-0.84
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.34
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)
-6.28

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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