![CAS 2090481-18-6 3-(difluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2090481-18-6.png)
CAS RN: 2090481-18-6
3-(difluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-098524
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: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.05g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
2090481-18-6 / 3-(difluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
2090481-18-6
Multi CAS
No
Molecular Formula
C7H8F2O2
Molecular Weight
162.130000
Exact Mass
162.049236
SMILES
C1C2(CC1(C2)C(=O)O)C(F)F
InChI
InChI=1S/C7H8F2O2/c8-4(9)6-1-7(2-6,3-6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKey
HKQXPYGSYCIQDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.36
TPSA
37.3
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
