CAS RN: 2291164-02-6
GS-4361
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.20260222 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2291164-02-6
- Purity/Analytical Methods: >99.0%
2291164-02-6 / 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
Basic Information
CAS
2291164-02-6
Multi CAS
No
Molecular Formula
C26H17F3N4O
Molecular Weight
458.400000
Exact Mass
458.135446
SMILES
CC1=C(C=C(C=N1)C2=CC=CN3C2=CN=C3C4=C(C(=CC=C4)F)F)C(=O)NC5=CC=C(C=C5)F
InChI
InChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(19)14-31-25(33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34)
InChIKey
MBXPCHYYQRPOOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
122.87
TPSA
59.29
LogP / Solubility
WLOGP
6.04
MLOGP
5.35
XLogP3
5.6
Consensus LogP
5.66
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23
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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