CAS RN: 89635-79-0
mPEG2-Propyne
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.20251005 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS89635-79-0
- Purity/Analytical Methods: >99.0%
89635-79-0 / 3-[2-(2-methoxyethoxy)ethoxy]prop-1-yne
Basic Information
CAS
89635-79-0
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-3-4-10-7-8-11-6-5-9-2/h1H,4-8H2,2H3
InChIKey
LQAWCLHWBNQCHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
42.35
TPSA
27.69
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
-0.1
Consensus LogP
0.15
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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