![CAS 1448854-86-1 1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92697942(1).gif)
CAS RN: 1448854-86-1
1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-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.20260527 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-056237
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 | Shenzhen | Inquiry |
1448854-86-1 / 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
Basic Information
CAS
1448854-86-1
Multi CAS
No
Molecular Formula
C11H12F3N3O2
Molecular Weight
275.230000
Exact Mass
275.088161
SMILES
C1CN(CCC1C(=O)O)C2=NC=NC(=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-5-9(16-6-15-8)17-3-1-7(2-4-17)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKey
XXZOBYZKSNDMMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.61
TPSA
66.32
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
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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