CAS RN: 1124381-69-6
S-99
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1124381-69-6
- Purity/Analytical Methods: >99.0%
1124381-69-6 / N-[5-(propan-2-ylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
S-99 | ASK1-IN-5 | N-[5-(propan-2-ylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
Basic Information
CAS
1124381-69-6
Multi CAS
Yes
Molecular Formula
C16H15F3N6O
Molecular Weight
364.320000
Exact Mass
364.125944
SMILES
CC(C)NC1=CC(=CC2=NC(=NN12)NC(=O)C3=CN=CC=C3)C(F)(F)F
InChI
InChI=1S/C16H15F3N6O/c1-9(2)21-12-6-11(16(17,18)19)7-13-22-15(24-25(12)13)23-14(26)10-4-3-5-20-8-10/h3-9,21H,1-2H3,(H,23,24,26)
InChIKey
BDAJJFZKNIYDOL-UHFFFAOYSA-N
Synonyms
S-99
ASK1-IN-5
N-[5-(propan-2-ylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
C16H15F3N6O
N-[5-(isopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]nicotinamide
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.94
TPSA
84.21
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
2.8
Consensus LogP
2.96
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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