CAS RN: 924811-53-0
BT 18
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250124 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS924811-53-0
- Purity/Analytical Methods: >99.0%
924811-53-0 / [4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
Basic Information
CAS
924811-53-0
Multi CAS
No
Molecular Formula
C30F4H31N3O6S
Molecular Weight
637.600000
Exact Mass
637.186970
InChI
InChI=1S/C30H31F4N3O6S/c1-41-26-7-5-22(44(39,40)37-9-8-19-14-27(42-2)28(43-3)15-20(19)18-37)17-25(26)35-10-12-36(13-11-35)29(38)23-6-4-21(31)16-24(23)30(32,33)34/h4-7,14-17H,8-13,18H2,1-3H3
InChIKey
QVIIZVVDZZHGCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
153.36
TPSA
88.62
LogP / Solubility
WLOGP
4.58
MLOGP
4.08
XLogP3
4.5
Consensus LogP
4.39
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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