CAS RN: 1427325-66-3
JWH-081 N-(5-Hydroxypentyl)
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.20251029 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-66-3
- Purity/Analytical Methods: >99.0%
1427325-66-3 / [1-(5-hydroxypentyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone
Basic Information
CAS
1427325-66-3
Multi CAS
No
Molecular Formula
C25H25NO3
Molecular Weight
387.500000
Exact Mass
387.183444
SMILES
COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CN(C4=CC=CC=C43)CCCCCO
InChI
InChI=1S/C25H25NO3/c1-29-24-14-13-21(18-9-3-4-11-20(18)24)25(28)22-17-26(15-7-2-8-16-27)23-12-6-5-10-19(22)23/h3-6,9-14,17,27H,2,7-8,15-16H2,1H3
InChIKey
MCDCEPNRUDLEJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
116.81
TPSA
51.46
LogP / Solubility
WLOGP
5.2
MLOGP
4.6
XLogP3
4.9
Consensus LogP
4.9
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1427325-83-4 1-[1-(5-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427325-83-4.gif)
