CAS RN: 52432-72-1
OXELADIN CITRATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 100mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260316 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260115 | 5g | Out of stock | Inquiry | |
| Batchno.20250607 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS52432-72-1
- Purity/Analytical Methods: >99.0%
52432-72-1 / 3-carboxy-3,5-dihydroxy-5-oxopentanoate;diethyl-[2-[2-(2-ethyl-2-phenylbutanoyl)oxyethoxy]ethyl]azanium
Basic Information
CAS
52432-72-1
Multi CAS
Yes
Molecular Formula
C26H41NO10
Molecular Weight
527.600000
Exact Mass
527.273047
InChI
InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KVKJFNUGVOFNGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
17
H-bond acceptors
8
H-bond donors
4
Molar refractivity
131.85
TPSA
174.93
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.27
XLogP3
-0.35
Consensus LogP
-0.32
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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