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CAS 669556-37-0 THP-PEG8-Tos molecular structure lightbox
CAS RN: 669556-37-0

THP-PEG8-Tos

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS669556-37-0
  • Purity/Analytical Methods: >99.0%
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669556-37-0 / 2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 669556-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
669556-37-0
Multi CAS
Yes
Molecular Formula
C24H40O10S
Molecular Weight
520.600000
Exact Mass
520.234219
InChI
InChI=1S/C24H40O10S/c1-22-5-7-23(8-6-22)35(25,26)34-21-19-31-17-15-29-13-11-27-10-12-28-14-16-30-18-20-33-24-4-2-3-9-32-24/h5-8,24H,2-4,9-21H2,1H3
InChIKey
QGSBMQZFPAVLBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
21
H-bond acceptors
10
Molar refractivity
127.95
TPSA
107.98

LogP / Solubility

WLOGP
2.33
MLOGP
2.09
XLogP3
1.5
Consensus LogP
1.97
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.51
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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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