CAS RN: 217094-32-1
K-604 dihydrochloride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250425 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250803 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250922 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250917 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS217094-32-1
- Purity/Analytical Methods: >99.0%
217094-32-1 / 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide;dihydrochloride
Basic Information
CAS
217094-32-1
Multi CAS
No
Molecular Formula
C23H32Cl2N6OS3
Molecular Weight
575.600000
Exact Mass
574.117679
SMILES
CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC.Cl.Cl
InChI
InChI=1S/C23H30N6OS3.2ClH/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23;;/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30);2*1H
InChIKey
DEKWEGUBUYKTAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
155.36
TPSA
77.15
LogP / Solubility
WLOGP
4.9
MLOGP
4.36
XLogP3
4.9
Consensus LogP
4.72
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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