CAS RN: 1612287-99-6
2-(trifluoroMethyl)-4-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
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.20250119 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-068930
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 |
1612287-99-6 / 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
Basic Information
CAS
1612287-99-6
Multi CAS
No
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.090000
Exact Mass
287.130443
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C)C(F)(F)F
InChI
InChI=1S/C13H17BF3NO2/c1-8-6-10(13(15,16)17)18-7-9(8)14-19-11(2,3)12(4,5)20-14/h6-7H,1-5H3
InChIKey
NHTGGJIAIAPGHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.69
TPSA
31.35
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1612891-29-8 Palladium, [1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(2-methylpyridine)-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1612891-29-8.gif)