CAS RN: 824959-83-3
JWH-213
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.20260129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS824959-83-3
- Purity/Analytical Methods: >99.0%
824959-83-3 / (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
Basic Information
CAS
824959-83-3
Multi CAS
No
Molecular Formula
C27H29NO
Molecular Weight
383.500000
Exact Mass
383.224915
InChI
InChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3
InChIKey
JAVDQKMSPNBPCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
122.96
TPSA
22
LogP / Solubility
WLOGP
7.09
MLOGP
6.26
XLogP3
7.5
Consensus LogP
6.95
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
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)
-0.03
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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