CAS RN: 1427521-38-7
JWH 250 N-(4-hydroxypentyl) metabolite
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.20250521 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427521-38-7
- Purity/Analytical Methods: >99.0%
1427521-38-7 / 1-[1-(4-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
Basic Information
CAS
1427521-38-7
Multi CAS
No
Molecular Formula
C22H25NO3
Molecular Weight
351.400000
Exact Mass
351.183444
SMILES
CC(CCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3OC)O
InChI
InChI=1S/C22H25NO3/c1-16(24)8-7-13-23-15-19(18-10-4-5-11-20(18)23)21(25)14-17-9-3-6-12-22(17)26-2/h3-6,9-12,15-16,24H,7-8,13-14H2,1-2H3
InChIKey
GMXLLEJMDHWZNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.88
TPSA
51.46
LogP / Solubility
WLOGP
4.24
MLOGP
3.75
XLogP3
3.6
Consensus LogP
3.86
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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