CAS RN: 51650-59-0
Murrangatin diacetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260426 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS51650-59-0
- Purity/Analytical Methods: >99.0%
51650-59-0 / [2-acetyloxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] acetate
Basic Information
CAS
51650-59-0
Multi CAS
Yes
Molecular Formula
C19H20O7
Molecular Weight
360.400000
Exact Mass
360.120903
InChI
InChI=1S/C19H20O7/c1-10(2)17(24-11(3)20)19(25-12(4)21)16-14(23-5)8-6-13-7-9-15(22)26-18(13)16/h6-9,17,19H,1H2,2-5H3
InChIKey
UXEHZTFFWWQEAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
93.91
TPSA
92.04
LogP / Solubility
WLOGP
2.91
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.76
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
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
3.5
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