CAS RN: 81836-41-1
m-PEG5-nitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS81836-41-1
- Purity/Analytical Methods: >99.0%
81836-41-1 / 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanenitrile
Basic Information
CAS
81836-41-1
Multi CAS
No
Molecular Formula
C12H23NO5
Molecular Weight
261.310000
Exact Mass
261.157623
InChI
InChI=1S/C12H23NO5/c1-14-5-6-16-9-10-18-12-11-17-8-7-15-4-2-3-13/h2,4-12H2,1H3
InChIKey
SZUWOHFZIMGHKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
65.38
TPSA
69.94
LogP / Solubility
WLOGP
0.61
MLOGP
0.55
XLogP3
-0.8
Consensus LogP
0.12
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
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)
-3.88
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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