CAS RN: 198474-05-4
3-(5-fluoro-indol-3-yl)-pyrrolidine-2,5-dione
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250130 | 10mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250107 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260630 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260407 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250706 | 5mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250304 | 5mg / 10mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS198474-05-4
- Purity/Analytical Methods: >99.0%
198474-05-4 / 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Basic Information
CAS
198474-05-4
Multi CAS
No
Molecular Formula
C12H9FN2O2
Molecular Weight
232.210000
Exact Mass
232.064806
SMILES
C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F
InChI
InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
InChIKey
MXKLDYKORJEOPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.76
TPSA
61.96
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
BOC-LYS(BOC)-PRO-OH
- CAS RN: 198475-99-9
- Product Code: starshine_CAS198475-99-9
- Purity/Analytical method: >99.0%
-
Boc-L-Lysinol(2-Cl-Z)
- CAS RN: 198476-84-5
- Product Code: starshine_CAS198476-84-5
- Purity/Analytical method: >99.0%
-
-
1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE
- CAS RN: 198480-21-6
- Product Code: SSC-093525
-
Bazedoxifene
- CAS RN: 198481-32-2
- Product Code: starshine_CAS198481-32-2
- Purity/Analytical method: >99.0%
-
Carbamic acid, [(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 198493-28-6
- Product Code: SSC-093534
![CAS 198480-21-6 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB81009554.gif)
![CAS 198493-28-6 Carbamic acid, [(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198493-28-6.gif)