CAS RN: 23601-39-0

3,6,9,12,15,18-hexaoxaicosane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23601-39-0
  • Purity/Analytical Methods: >99.0%
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23601-39-0 / 1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane

Standard CAS: 23601-39-0 Multi CAS: No

Basic Information

CAS
23601-39-0
Multi CAS
No
Molecular Formula
C14H30O6
Molecular Weight
294.380000
Exact Mass
294.204239
SMILES
CCOCCOCCOCCOCCOCCOCC
InChI
InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3
InChIKey
IXFAFGFZFQHRLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
6
Molar refractivity
76.26
TPSA
55.38

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
-0.1
Consensus LogP
0.68
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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
1.5

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