CAS RN: 86434-57-3
SX 810
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.20250824 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS86434-57-3
- Purity/Analytical Methods: >99.0%
86434-57-3 / (1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate iodide
Basic Information
CAS
86434-57-3
Multi CAS
Yes
Molecular Formula
C23H34In3O3
Molecular Weight
527.400000
Exact Mass
527.164490
InChI
InChI=1S/C23H34N3O3.HI/c1-3-26(2)16-12-18(13-17-26)28-23(27)22(25-14-8-4-5-9-15-25)21-19-10-6-7-11-20(19)29-24-21;/h6-7,10-11,18,22H,3-5,8-9,12-17H2,1-2H3;1H/q+1;/p-1
InChIKey
XEHKKWZHSSPBNZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
112.36
TPSA
55.57
LogP / Solubility
WLOGP
0.92
MLOGP
0.85
XLogP3
0.92
Consensus LogP
0.9
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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