![CAS 52598-24-0 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl dihydrogen phosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52598-24-0.gif)
CAS RN: 52598-24-0
2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52598-24-0
- Purity/Analytical Methods: >99.0%
52598-24-0 / 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl dihydrogen phosphate
Basic Information
CAS
52598-24-0
Multi CAS
Yes
Molecular Formula
C18H39O7P
Molecular Weight
398.500000
Exact Mass
398.243341
InChI
InChI=1S/C18H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
JQAGDVDTMKMJIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
5
H-bond donors
2
Molar refractivity
102.3
TPSA
94.45
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
3.6
Consensus LogP
3.76
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.15
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
Yes
Log Kp (skin permeation)
-2.26
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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