![CAS 2248351-67-7 7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2248351-67-7.gif)
CAS RN: 2248351-67-7
7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260503 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2248351-67-7
- Purity/Analytical Methods: >99.0%
2248351-67-7 / 7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid
Basic Information
CAS
2248351-67-7
Multi CAS
No
Molecular Formula
C8H10F2O2
Molecular Weight
176.160000
Exact Mass
176.064886
SMILES
C1CCC2(C(C1)C2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-8(10)5-3-1-2-4-7(5,8)6(11)12/h5H,1-4H2,(H,11,12)
InChIKey
GXQKHZIFBNBPQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.97
TPSA
37.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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