![CAS 197565-66-5 3-chloro-2-[3-(trifluoromethyl)phenoxy]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/197565-66-5.gif)
CAS RN: 197565-66-5
3-chloro-2-[3-(trifluoromethyl)phenoxy]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.20260607 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-093156
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 | Shenzhen | Inquiry |
197565-66-5 / 3-chloro-2-[3-(trifluoromethyl)phenoxy]pyridine
Basic Information
CAS
197565-66-5
Multi CAS
No
Molecular Formula
C12H7ClF3NO
Molecular Weight
273.640000
Exact Mass
273.016826
SMILES
C1=CC(=CC(=C1)OC2=C(C=CC=N2)Cl)C(F)(F)F
InChI
InChI=1S/C12H7ClF3NO/c13-10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(14,15)16/h1-7H
InChIKey
JHFQIWDOKUTRBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.77
TPSA
22.12
LogP / Solubility
WLOGP
4.55
MLOGP
4.01
XLogP3
4.2
Consensus LogP
4.25
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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