CAS RN: 1427521-36-5
JWH 210 N-pentanoic acid metabolite
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250211 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427521-36-5
- Purity/Analytical Methods: >99.0%
1427521-36-5 / 5-[3-(4-ethylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
Basic Information
CAS
1427521-36-5
Multi CAS
No
Molecular Formula
C26H25NO3
Molecular Weight
399.500000
Exact Mass
399.183444
SMILES
CCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCC(=O)O
InChI
InChI=1S/C26H25NO3/c1-2-18-14-15-22(20-10-4-3-9-19(18)20)26(30)23-17-27(16-8-7-13-25(28)29)24-12-6-5-11-21(23)24/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,28,29)
InChIKey
PKGSQKIUCYVUDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
19
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
120.18
TPSA
59.3
LogP / Solubility
WLOGP
5.84
MLOGP
5.17
XLogP3
5.5
Consensus LogP
5.5
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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