CAS RN: 55974-42-0
ARC 239 dihydrochloride
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260331 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55974-42-0
- Purity/Analytical Methods: >99.0%
55974-42-0 / 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione;dihydrochloride
Basic Information
CAS
55974-42-0
Multi CAS
Yes
Molecular Formula
C24H31CL2N3O3
Molecular Weight
480.400000
Exact Mass
479.174247
InChI
InChI=1S/C24H29N3O3.2ClH/c1-24(2)19-9-5-4-8-18(19)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)20-10-6-7-11-21(20)30-3;;/h4-11H,12-17H2,1-3H3;2*1H
InChIKey
SAJKHRHHDGSJEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
131.65
TPSA
53.09
LogP / Solubility
WLOGP
3.62
MLOGP
3.22
XLogP3
3.62
Consensus LogP
3.49
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
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
3
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- CAS RN: 55984-59-3
- Product Code: SSC-163917
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