CAS RN: 2141969-56-2
RIPK2-IN-8
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.20251125 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2141969-56-2
- Purity/Analytical Methods: >99.0%
2141969-56-2 / 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
Basic Information
CAS
2141969-56-2
Multi CAS
No
Molecular Formula
C18H21FN4O3S
Molecular Weight
392.400000
Exact Mass
392.131840
SMILES
CCOC1=CC2=NC=C(N2C=C1S(=O)(=O)C(C)(C)C)C3=CC(=NC(=C3)F)N
InChI
InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)
InChIKey
QWDMZDSZMVJFFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
100.9
TPSA
99.58
LogP / Solubility
WLOGP
3.09
MLOGP
2.74
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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