CAS RN: 864445-56-7
JWH 203 3-chlorophenyl isomer
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.20260109 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS864445-56-7
- Purity/Analytical Methods: >99.0%
864445-56-7 / 2-(3-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone
Basic Information
CAS
864445-56-7
Multi CAS
No
Molecular Formula
C21H22CLNO
Molecular Weight
339.900000
Exact Mass
339.138992
InChI
InChI=1S/C21H22ClNO/c1-2-3-6-12-23-15-19(18-10-4-5-11-20(18)23)21(24)14-16-8-7-9-17(22)13-16/h4-5,7-11,13,15H,2-3,6,12,14H2,1H3
InChIKey
KURUPMPUIIQATM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
100.95
TPSA
22
LogP / Solubility
WLOGP
5.91
MLOGP
5.22
XLogP3
5.6
Consensus LogP
5.58
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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
No
Log Kp (skin permeation)
-0.6
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
2.5
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