CAS RN: 886366-06-9
1-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
- Product code: SSC-199872
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
886366-06-9 / 1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Basic Information
CAS
886366-06-9
Multi CAS
No
Molecular Formula
C11F3H9O2
Molecular Weight
230.180000
Exact Mass
230.055464
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)8-4-2-1-3-7(8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
CQKNWCFXZVEBEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.99
TPSA
37.3
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
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- Purity/Analytical method: >99.0%
![CAS 886366-21-8 7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886366-21-8.gif)