CAS RN: 915213-54-6
ethyl 2-(4,4-difluorocyclohexyl)acetate
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-204745
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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915213-54-6 / ethyl 2-(4,4-difluorocyclohexyl)acetate
Basic Information
CAS
915213-54-6
Multi CAS
No
Molecular Formula
C10F2H16O2
Molecular Weight
206.230000
Exact Mass
206.111836
InChI
InChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3
InChIKey
GZWGGXBBJGJHBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
48.16
TPSA
26.3
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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