CAS RN: 59970-10-4
C18E4
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.20260211 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS59970-10-4
- Purity/Analytical Methods: >99.0%
59970-10-4 / 2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethanol
Basic Information
CAS
59970-10-4
Multi CAS
No
Molecular Formula
C26H54O5
Molecular Weight
446.700000
Exact Mass
446.397125
InChI
InChI=1S/C26H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h27H,2-26H2,1H3
InChIKey
HEZHDXIJQPSERX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
5
H-bond donors
1
Molar refractivity
129.91
TPSA
57.15
LogP / Solubility
WLOGP
6.31
MLOGP
5.58
XLogP3
7.9
Consensus LogP
6.6
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 59981-63-4 L-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59981-63-4.gif)
