CAS RN: 53319-52-1
Isogosferol
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.20251102 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS53319-52-1
- Purity/Analytical Methods: >99.0%
53319-52-1 / 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
Basic Information
CAS
53319-52-1
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
InChIKey
RTUPRHIHXSAWDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.57
TPSA
72.81
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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
3
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