![CAS 898405-31-7 6-[2-(trifluoroMethoxy)phenyl]-3-pyridinecarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898405-31-7.gif)
CAS RN: 898405-31-7
6-[2-(trifluoroMethoxy)phenyl]-3-pyridinecarbaldehyde
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.20260202 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-201935
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
898405-31-7 / 6-[2-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
Basic Information
CAS
898405-31-7
Multi CAS
Yes
Molecular Formula
C13F3H8NO2
Molecular Weight
267.200000
Exact Mass
267.050713
InChI
InChI=1S/C13H8F3NO2/c14-13(15,16)19-12-4-2-1-3-10(12)11-6-5-9(8-18)7-17-11/h1-8H
InChIKey
IEUIBTZYILTLDW-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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