![CAS 2034182-75-5 3H-Imidazo[4,5-b]pyridine, 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2034182-75-5.png)
CAS RN: 2034182-75-5
3H-Imidazo[4,5-b]pyridine, 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2034182-75-5
- Purity/Analytical Methods: >99.0%
2034182-75-5 / 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
Basic Information
CAS
2034182-75-5
Multi CAS
No
Molecular Formula
C15H6ClF6N5
Molecular Weight
405.680000
Exact Mass
405.021592
SMILES
C1=CC(=NC2=C1N=C(N2C3=CC4=C(C(=C3)Cl)NN=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H6ClF6N5/c16-8-4-7(3-6-5-23-26-11(6)8)27-12-9(24-13(27)15(20,21)22)1-2-10(25-12)14(17,18)19/h1-5H,(H,23,26)
InChIKey
VJCLYNBRTPCXJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.53
TPSA
59.39
LogP / Solubility
WLOGP
4.99
MLOGP
4.41
XLogP3
4.5
Consensus LogP
4.63
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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