CAS RN: 210179-44-5
JWH 080
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.20250708 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210179-44-5
- Purity/Analytical Methods: >99.0%
210179-44-5 / (1-butylindol-3-yl)-(4-methoxynaphthalen-1-yl)methanone
Basic Information
CAS
210179-44-5
Multi CAS
No
Molecular Formula
C24H23NO2
Molecular Weight
357.400000
Exact Mass
357.172879
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC
InChI
InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3
InChIKey
PGOAKRPGOLHODL-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
3
Molar refractivity
110.78
TPSA
31.23
LogP / Solubility
WLOGP
5.83
MLOGP
5.15
XLogP3
5.7
Consensus LogP
5.56
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
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)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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