CAS RN: 86630-59-3
Polyethylene Glycol Glycidyl Lauryl Ether
Product Availability
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2 package records2 with current stock1 grade group
- Product code: ICTP2294
86630-59-3 / 2-(2-dodecoxyethoxymethyl)oxirane
Basic Information
CAS
86630-59-3
Multi CAS
No
Molecular Formula
C17H34O3
Molecular Weight
286.400000
Exact Mass
286.250795
InChI
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-15-17-16-20-17/h17H,2-16H2,1H3
InChIKey
ZCCBLVOOWREKMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
83.22
TPSA
30.99
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
5.2
Consensus LogP
4.46
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.04
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)
-1.39
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
