![CAS 175204-95-2 8-CHLORO-3-(4-TRIFLUOROMETHYLPHENYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175204-95-2.gif)
CAS RN: 175204-95-2
8-CHLORO-3-(4-TRIFLUOROMETHYLPHENYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS175204-95-2
- Purity/Analytical Methods: >99.0%
175204-95-2 / 6-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
Basic Information
CAS
175204-95-2
Multi CAS
No
Molecular Formula
C12H6ClF3N4
Molecular Weight
298.650000
Exact Mass
298.023308
SMILES
C1=CC(=CC=C1C2=NN=C3N2N=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C12H6ClF3N4/c13-9-5-6-10-17-18-11(20(10)19-9)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKey
HTASUBNIRGUCTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
66.23
TPSA
43.08
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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