CAS RN: 529493-92-3
CYAYKKUWALRRPA-UHFFFAOYSA-N
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.20250510 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS529493-92-3
- Purity/Analytical Methods: >99.0%
529493-92-3 / (3,4,5-triacetyloxy-6-bromooxan-2-yl)methyl acetate
Basic Information
CAS
529493-92-3
Multi CAS
Yes
Molecular Formula
C14H19BRO9
Molecular Weight
411.200000
Exact Mass
410.021240
InChI
InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3
InChIKey
CYAYKKUWALRRPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
80.88
TPSA
114.43
LogP / Solubility
WLOGP
0.46
MLOGP
0.43
XLogP3
1.5
Consensus LogP
0.8
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-4.9
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
5
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