CAS RN: 1784751-18-3
TA-01
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250214 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1784751-18-3
- Purity/Analytical Methods: >99.0%
1784751-18-3 / 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
Basic Information
CAS
1784751-18-3
Multi CAS
No
Molecular Formula
C20H12F3N3
Molecular Weight
351.300000
Exact Mass
351.098332
SMILES
C1=CC(=C(C(=C1)F)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
InChIKey
TWPJJJZCYVFUOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.56
TPSA
41.57
LogP / Solubility
WLOGP
5.22
MLOGP
4.61
XLogP3
4.3
Consensus LogP
4.71
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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