![CAS 1000787-75-6 5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000787-75-6.gif)
CAS RN: 1000787-75-6
5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1000787-75-6
- Purity/Analytical Methods: >99.0%
1000787-75-6 / 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
Tegobuvir | 1000787-75-6 | 5-((6-(2,4-bis(Trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
Basic Information
CAS
1000787-75-6
Multi CAS
No
Molecular Formula
C25H14F7N5
Molecular Weight
517.400000
Exact Mass
517.113743
SMILES
C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
InChIKey
XBEQSQDCBSKCHJ-UHFFFAOYSA-N
Synonyms
Tegobuvir
1000787-75-6
5-((6-(2,4-bis(Trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
GS-9190
GS-333126
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
27
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
118.61
TPSA
56.49
LogP / Solubility
WLOGP
6.73
MLOGP
5.96
XLogP3
4.7
Consensus LogP
5.8
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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