CAS RN: 1843184-38-2
JWH 203 N-(4-hydroxypentyl) metabolite
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1843184-38-2
- Purity/Analytical Methods: >99.0%
1843184-38-2 / 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone
Basic Information
CAS
1843184-38-2
Multi CAS
No
Molecular Formula
C21H22ClNO2
Molecular Weight
355.900000
Exact Mass
355.133907
SMILES
CC(CCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Cl)O
InChI
InChI=1S/C21H22ClNO2/c1-15(24)7-6-12-23-14-18(17-9-3-5-11-20(17)23)21(25)13-16-8-2-4-10-19(16)22/h2-5,8-11,14-15,24H,6-7,12-13H2,1H3
InChIKey
ALUOSHHIHVCMCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.34
TPSA
42.23
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
4.3
Consensus LogP
4.5
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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)
-1.43
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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