CAS RN: 1428532-94-8
tert-Butyl (2-(difluoroMethyl)pyridin-4-yl)MethylcarbaMate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251212 | 100mg | Out of stock | Inquiry |
- Product code: SSC-054095
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 |
1428532-94-8 / tert-butyl N-[[2-(difluoromethyl)-4-pyridinyl]methyl]carbamate
Basic Information
CAS
1428532-94-8
Multi CAS
No
Molecular Formula
C12H16F2N2O2
Molecular Weight
258.260000
Exact Mass
258.117984
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NC=C1)C(F)F
InChI
InChI=1S/C12H16F2N2O2/c1-12(2,3)18-11(17)16-7-8-4-5-15-9(6-8)10(13)14/h4-6,10H,7H2,1-3H3,(H,16,17)
InChIKey
GHHJONKWTNLARH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.27
TPSA
51.22
LogP / Solubility
WLOGP
3.04
MLOGP
2.69
XLogP3
2
Consensus LogP
2.58
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
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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