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CAS 209414-09-5 JWH 020 molecular structure lightbox
CAS RN: 209414-09-5

JWH 020

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS209414-09-5
  • Purity/Analytical Methods: >99.0%
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209414-09-5 / (1-heptylindol-3-yl)-naphthalen-1-ylmethanone

Standard CAS: 209414-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209414-09-5
Multi CAS
No
Molecular Formula
C26H27NO
Molecular Weight
369.500000
Exact Mass
369.209264
SMILES
CCCCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H27NO/c1-2-3-4-5-10-18-27-19-24(22-15-8-9-17-25(22)27)26(28)23-16-11-13-20-12-6-7-14-21(20)23/h6-9,11-17,19H,2-5,10,18H2,1H3
InChIKey
IHKDUDCDUKFOKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
118.08
TPSA
22

LogP / Solubility

WLOGP
7
MLOGP
6.18
XLogP3
7.4
Consensus LogP
6.86
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
-0.01

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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