![CAS 71712-93-1 Oxirane, [[2-(2-methoxyethoxy)ethoxy]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71712-93-1.gif)
CAS RN: 71712-93-1
Oxirane, [[2-(2-methoxyethoxy)ethoxy]methyl]-
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.20260504 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71712-93-1
- Purity/Analytical Methods: >99.0%
71712-93-1 / 2-[2-(2-methoxyethoxy)ethoxymethyl]oxirane
Basic Information
CAS
71712-93-1
Multi CAS
No
Molecular Formula
C8H16O4
Molecular Weight
176.210000
Exact Mass
176.104859
InChI
InChI=1S/C8H16O4/c1-9-2-3-10-4-5-11-6-8-7-12-8/h8H,2-7H2,1H3
InChIKey
DQBPICZFQWJEKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
43.25
TPSA
40.22
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
-0.5
Consensus LogP
-0.13
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.75
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
2
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