![CAS 78385-85-0 methyl 4-fluorobicyclo[2.2.2]octane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78385-85-0.gif)
CAS RN: 78385-85-0
methyl 4-fluorobicyclo[2.2.2]octane-1-carboxylate
- Product code: SSC-187801
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: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
78385-85-0 / methyl 4-fluorobicyclo[2.2.2]octane-1-carboxylate
Basic Information
CAS
78385-85-0
Multi CAS
No
Molecular Formula
C10FH15O2
Molecular Weight
186.220000
Exact Mass
186.105608
InChI
InChI=1S/C10H15FO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7H2,1H3
InChIKey
RHFABEWFSICBIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.99
TPSA
26.3
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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