![CAS 1269151-80-5 3-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269151-80-5.gif)
CAS RN: 1269151-80-5
3-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-034207
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 | Beijing | Inquiry |
1269151-80-5 / 3-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
Basic Information
CAS
1269151-80-5
Multi CAS
No
Molecular Formula
C12H11F3O3
Molecular Weight
260.210000
Exact Mass
260.066029
SMILES
C1C(CC1C(=O)O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C12H11F3O3/c13-12(14,15)18-10-3-1-7(2-4-10)8-5-9(6-8)11(16)17/h1-4,8-9H,5-6H2,(H,16,17)
InChIKey
YSDJBFXAKZTWRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.23
TPSA
46.53
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.2
Consensus LogP
3.05
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly 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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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