CAS RN: 1784751-20-7
CK1-IN-1
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11 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1784751-20-7
- Purity/Analytical Methods: >99.0%
1784751-20-7 / 4-[2-(1-fluoronaphthalen-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
Basic Information
CAS
1784751-20-7
Multi CAS
No
Molecular Formula
C24H15F2N3
Molecular Weight
383.400000
Exact Mass
383.123404
SMILES
C1=CC=C2C(=C1)C=CC(=C2F)C3=NC(=C(N3)C4=CC=NC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
InChIKey
PUQAFIILJICJRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
110.11
TPSA
41.57
LogP / Solubility
WLOGP
6.24
MLOGP
5.51
XLogP3
5.4
Consensus LogP
5.72
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.21
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)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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