CAS RN: 1941211-99-9
“LSN 3213128(LSN3213128)”
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.20250326 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1941211-99-9
- Purity/Analytical Methods: >99.0%
1941211-99-9 / N-(6-fluoro-1-oxo-2H-isoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
Basic Information
CAS
1941211-99-9
Multi CAS
No
Molecular Formula
C17H16FN3O4S2
Molecular Weight
409.500000
Exact Mass
409.056627
SMILES
C1CN(C[C@@H]1O)C2=CC=C(S2)S(=O)(=O)NC3=C(C=C4C=CNC(=O)C4=C3)F
InChI
InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1
InChIKey
DSUZLJDXUJUTGI-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
102.49
TPSA
102.5
LogP / Solubility
WLOGP
2.1
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1942110-76-0 2,2′-(5,5′-(2,6-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b’]dithiophene-4,8-diyl)bis(thiophene-5,2-diyl))bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1942110-76-0.gif)
![CAS 1942919-79-0 8-[3,5-Difluoro-4-(4-morpholinylmethyl)phenyl]-2-[1-(4-piperidinyl)-1H-pyrazol-4-yl]quinoxaline dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1942919-79-0.gif)
