CAS RN: 1427325-89-0
JWH 398 5-chloronaphthyl isomer
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-89-0
- Purity/Analytical Methods: >99.0%
1427325-89-0 / (5-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Basic Information
CAS
1427325-89-0
Multi CAS
No
Molecular Formula
C24H22ClNO
Molecular Weight
375.900000
Exact Mass
375.138992
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=CC=C4Cl
InChI
InChI=1S/C24H22ClNO/c1-2-3-6-15-26-16-21(19-9-4-5-14-23(19)26)24(27)20-12-7-11-18-17(20)10-8-13-22(18)25/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey
HDEHWWPFRITSLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
113.85
TPSA
22
LogP / Solubility
WLOGP
6.87
MLOGP
6.07
XLogP3
6.9
Consensus LogP
6.61
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-0.14
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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