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CAS 930-08-5 3,6,9,12-tetraoxapentacosan-1-ol molecular structure lightbox
CAS RN: 930-08-5

3,6,9,12-tetraoxapentacosan-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250107 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS930-08-5
  • Purity/Analytical Methods: >99.0%
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930-08-5 / 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethanol

Standard CAS: 930-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
930-08-5
Multi CAS
Yes
Molecular Formula
C21H44O5
Molecular Weight
376.600000
Exact Mass
376.318875
InChI
InChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-14-23-16-18-25-20-21-26-19-17-24-15-13-22/h22H,2-21H2,1H3
InChIKey
XGJLRCKXPUPYKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
23
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.82
TPSA
57.15

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
5.2
Consensus LogP
4.47
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

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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