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: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 5g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
849669-20-1 / 3,3-difluorocyclohexane-1-carboxylic acid
Basic Information
CAS
849669-20-1
Multi CAS
Yes
Molecular Formula
C7F2H10O2
Molecular Weight
164.150000
Exact Mass
164.064886
InChI
InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChIKey
GSVZSOJKYXYXAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.54
TPSA
37.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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