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CAS 669556-83-6 THP-PEG9-OH molecular structure lightbox
CAS RN: 669556-83-6

THP-PEG9-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS669556-83-6
  • Purity/Analytical Methods: >99.0%
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669556-83-6 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 669556-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669556-83-6
Multi CAS
No
Molecular Formula
C23H46O11
Molecular Weight
498.600000
Exact Mass
498.304012
InChI
InChI=1S/C23H46O11/c24-4-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20-32-21-22-34-23-3-1-2-5-33-23/h23-24H,1-22H2
InChIKey
FCZORFNNCSEJMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
11
H-bond donors
1
Molar refractivity
123.18
TPSA
112.53

LogP / Solubility

WLOGP
0.65
MLOGP
0.61
XLogP3
-0.9
Consensus LogP
0.12
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
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)
-5.3

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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