CAS RN: 52829-97-7
Cyclopropane,(1,1-dimethoxyethyl)-
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.20260606 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52829-97-7
- Purity/Analytical Methods: >99.0%
52829-97-7 / 1,1-dimethoxyethylcyclopropane
Basic Information
CAS
52829-97-7
Multi CAS
No
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-7(8-2,9-3)6-4-5-6/h6H,4-5H2,1-3H3
InChIKey
AIRYVOBWESROTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
35.15
TPSA
18.46
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.52
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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