CAS RN: 548461-82-1
JWH 149
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250422 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS548461-82-1
- Purity/Analytical Methods: >99.0%
548461-82-1 / (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
Basic Information
CAS
548461-82-1
Multi CAS
No
Molecular Formula
C26H27NO
Molecular Weight
369.500000
Exact Mass
369.209264
InChI
InChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKey
JTJAMXUOXJGSCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
118.32
TPSA
22
LogP / Solubility
WLOGP
6.83
MLOGP
6.03
XLogP3
7.1
Consensus LogP
6.65
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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