CAS RN: 73834-55-6
tert-Butyl 2-(2-Chloroethoxy)acetate
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.20251215 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS73834-55-6
- Purity/Analytical Methods: >99.0%
73834-55-6 / tert-butyl 2-(2-chloroethoxy)acetate
Basic Information
CAS
73834-55-6
Multi CAS
No
Molecular Formula
C8H15CLO3
Molecular Weight
194.650000
Exact Mass
194.070972
InChI
InChI=1S/C8H15ClO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3
InChIKey
WMVRQEMWJYRSNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
47.38
TPSA
35.53
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.78
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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