CAS RN: 520-59-2
(15E)-13,19-Didehydro-12β-hydroxysenecionan-11,16-dione
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.20250327 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS520-59-2
- Purity/Analytical Methods: >99.0%
520-59-2 / 4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Basic Information
CAS
520-59-2
Multi CAS
Yes
Molecular Formula
C18H23NO5
Molecular Weight
333.400000
Exact Mass
333.157623
InChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.56
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.04
TPSA
76.07
LogP / Solubility
WLOGP
1.11
MLOGP
1
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96
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
5.5
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