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CAS 874820-38-9 MPEG16-SH molecular structure lightbox
CAS RN: 874820-38-9

MPEG16-SH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS874820-38-9
  • Purity/Analytical Methods: >99.0%
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874820-38-9 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol

Standard CAS: 874820-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874820-38-9
Multi CAS
No
Molecular Formula
C33H68O16S
Molecular Weight
753.000000
Exact Mass
752.422807
InChI
InChI=1S/C33H68O16S/c1-34-2-3-35-4-5-36-6-7-37-8-9-38-10-11-39-12-13-40-14-15-41-16-17-42-18-19-43-20-21-44-22-23-45-24-25-46-26-27-47-28-29-48-30-31-49-32-33-50/h50H,2-33H2,1H3
InChIKey
XYOSUGCXLBUKDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
1
Rotatable bonds
47
H-bond acceptors
17
H-bond donors
1
Molar refractivity
188.01
TPSA
147.68

LogP / Solubility

WLOGP
0.81
MLOGP
0.78
XLogP3
-1.8
Consensus LogP
-0.07
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.87
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)
-6.74

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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