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CAS 36366-93-5 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol molecular structure lightbox
CAS RN: 36366-93-5

2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol

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Batchno.20250506 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS36366-93-5
  • Purity/Analytical Methods: >99.0%
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36366-93-5 / 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol

Standard CAS: 36366-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36366-93-5
Multi CAS
No
Molecular Formula
C14H22O5
Molecular Weight
270.320000
Exact Mass
270.146724
InChI
InChI=1S/C14H22O5/c15-6-7-16-8-9-17-10-11-18-12-13-19-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKey
RGRVGOMPHMWMJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.48
TPSA
57.15

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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