![CAS 2169223-48-5 Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169223-48-5.png)
CAS RN: 2169223-48-5
Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260117 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260524 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260420 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250313 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250526 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2169223-48-5
- Purity/Analytical Methods: >99.0%
2169223-48-5 / 1-[4-[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3,3-difluoro-2H-indol-1-yl]ethanone
Basic Information
CAS
2169223-48-5
Multi CAS
No
Molecular Formula
C22H26F2N6O2S
Molecular Weight
476.500000
Exact Mass
476.180602
SMILES
CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COC[C@H]5N)(F)F
InChI
InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1
InChIKey
HGYTYZKWKUXRKA-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
121.6
TPSA
110.6
LogP / Solubility
WLOGP
2.61
MLOGP
2.33
XLogP3
1.2
Consensus LogP
2.05
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 2169266-67-3 Pentanoic acid, 5-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169266-67-3.png)
![CAS 2169266-69-5 Heptanoic acid, 7-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169266-69-5.png)
![CAS 2169266-70-8 Octanoic acid, 8-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169266-70-8.png)
