![CAS 851069-97-1 6-[4-(TrifluoroMethoxy)phenyl]-3-pyridinecarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851069-97-1.gif)
CAS RN: 851069-97-1
6-[4-(TrifluoroMethoxy)phenyl]-3-pyridinecarbaldehyde
- Product code: SSC-193167
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
851069-97-1 / 6-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
Basic Information
CAS
851069-97-1
Multi CAS
Yes
Molecular Formula
C13F3H8NO2
Molecular Weight
267.200000
Exact Mass
267.050713
InChI
InChI=1S/C13H8F3NO2/c14-13(15,16)19-11-4-2-10(3-5-11)12-6-1-9(8-18)7-17-12/h1-8H
InChIKey
NEKWUGFVJNIXIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.74
TPSA
39.19
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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