CAS RN: 50722-38-8
3-ACETYLDEOXYNIVALENOL
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250308 | 1mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250427 | 1mg | In stock | Shanghai, Chongqing | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260416 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50722-38-8
- Purity/Analytical Methods: >99.0%
50722-38-8 / [3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Basic Information
CAS
50722-38-8
Multi CAS
Yes
Molecular Formula
C17H22O7
Molecular Weight
338.400000
Exact Mass
338.136553
InChI
InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
InChIKey
ADFIQZBYNGPCGY-HTJQZXIKSA-N
Physical Properties
Melting Point
185.5 - 186 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.76
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.91
TPSA
105.59
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.22
XLogP3
-0.1
Consensus LogP
-0.2
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
9.5
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