CAS RN: 127191-97-3
KN-62
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 100mg | Out of stock | Inquiry | |
| Batchno.20251016 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250518 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250919 | 25mg | Out of stock | Inquiry | |
| Batchno.20250121 | 50mg | Out of stock | Inquiry | |
| Batchno.20250218 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250913 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS127191-97-3
- Purity/Analytical Methods: >99.0%
127191-97-3 / [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
Basic Information
CAS
127191-97-3
Multi CAS
No
Molecular Formula
C38H35N5O6S2
Molecular Weight
721.800000
Exact Mass
721.202876
SMILES
CN([C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7
InChI
InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
InChIKey
RJVLFQBBRSMWHX-DHUJRADRSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
32
Fraction Csp3
0.18
Rotatable bonds
10
H-bond acceptors
9
Molar refractivity
195.42
TPSA
130.08
LogP / Solubility
WLOGP
5.13
MLOGP
4.58
XLogP3
5.6
Consensus LogP
5.1
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 127199-27-3 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127199-27-3.gif)