CAS RN: 1392809-08-3
4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250422 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250225 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260113 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250427 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250725 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1392809-08-3
- Purity/Analytical Methods: >99.0%
1392809-08-3 / 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid
Basic Information
CAS
1392809-08-3
Multi CAS
No
Molecular Formula
C22H12ClF3N2O3
Molecular Weight
444.800000
Exact Mass
444.048854
SMILES
C1=CC=C2C(=C1)C(=NN2C(=O)C3=C(C=CC=C3Cl)C(F)(F)F)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)
InChIKey
DANLZOIRUUHIIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
108.31
TPSA
72.19
LogP / Solubility
WLOGP
5.76
MLOGP
5.1
XLogP3
5.8
Consensus LogP
5.55
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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