CAS RN: 66548-63-8
3-Chloro-6-(3-trifluoromethyl-phenyl)-pyridazine
- Product code: SSC-176240
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 |
66548-63-8 / 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
Basic Information
CAS
66548-63-8
Multi CAS
No
Molecular Formula
C11H6CLF3N2
Molecular Weight
258.620000
Exact Mass
258.017160
InChI
InChI=1S/C11H6ClF3N2/c12-10-5-4-9(16-17-10)7-2-1-3-8(6-7)11(13,14)15/h1-6H
InChIKey
TVWOBKTURBXCNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.48
TPSA
25.78
LogP / Solubility
WLOGP
3.82
MLOGP
3.36
XLogP3
3.4
Consensus LogP
3.53
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
