CAS RN: 920501-68-4
1-(2,4-difluorophenyl)cyclopropanecarboxylic acid
- Product code: SSC-205625
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, 5g
- Available purity: ≥95%
- 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.
920501-68-4 / 1-(2,4-difluorophenyl)cyclopropane-1-carboxylic acid
Basic Information
CAS
920501-68-4
Multi CAS
No
Molecular Formula
C10F2H8O2
Molecular Weight
198.170000
Exact Mass
198.049236
InChI
InChI=1S/C10H8F2O2/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
BIPHYEZHOSCLEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.91
TPSA
37.3
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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
1.5
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