CAS RN: 130964-39-5
H-89 DIHYDROCHLORIDE HYDRATE
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250810 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250627 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260208 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260523 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS130964-39-5
- Purity/Analytical Methods: >99.0%
130964-39-5 / N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide;dihydrochloride
Basic Information
CAS
130964-39-5
Multi CAS
No
Molecular Formula
C20H22BrCl2N3O2S
Molecular Weight
519.300000
Exact Mass
516.999320
SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Br.Cl.Cl
InChI
InChI=1S/C20H20BrN3O2S.2ClH/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20;;/h1-10,12,15,22,24H,11,13-14H2;2*1H/b3-2+;;
InChIKey
GELOGQJVGPIKAM-WTVBWJGASA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
127.47
TPSA
71.09
LogP / Solubility
WLOGP
4.42
MLOGP
3.93
XLogP3
4.42
Consensus LogP
4.26
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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