![CAS 1688666-68-3 2-(2-{2-[2-(2-（p-methylbenzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1688666-68-3.gif)
CAS RN: 1688666-68-3
2-(2-{2-[2-(2-（p-methylbenzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1688666-68-3
- Purity/Analytical Methods: >99.0%
1688666-68-3 / 2-[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
1688666-68-3
Multi CAS
No
Molecular Formula
C18H30O6
Molecular Weight
342.400000
Exact Mass
342.204239
SMILES
CC1=CC=C(C=C1)COCCOCCOCCOCCOCCO
InChI
InChI=1S/C18H30O6/c1-17-2-4-18(5-3-17)16-24-15-14-23-13-12-22-11-10-21-9-8-20-7-6-19/h2-5,19H,6-16H2,1H3
InChIKey
LECUMGBUYIDFRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
1
Molar refractivity
91.2
TPSA
66.38
LogP / Solubility
WLOGP
1.57
MLOGP
1.4
XLogP3
0.7
Consensus LogP
1.22
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.11
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)
-3.69
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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