CAS RN: 82258-36-4
Etomoxir
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260618 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS82258-36-4
- Purity/Analytical Methods: >99.0%
82258-36-4 / ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Basic Information
CAS
82258-36-4
Multi CAS
Yes
Molecular Formula
C17H23CLO4
Molecular Weight
326.800000
Exact Mass
326.128487
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
InChIKey
DZLOHEOHWICNIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
85.35
TPSA
48.06
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
4.3
Consensus LogP
3.95
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 82266-85-1 (6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82266-85-1.gif)
