CAS RN: 60094-90-8
6-(1,2-Dihydroxy-3-methyl-3-butenyl)-7-methoxy-2H-1-benzopyran-2-one
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.20250711 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS60094-90-8
- Purity/Analytical Methods: >99.0%
60094-90-8 / 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Basic Information
CAS
60094-90-8
Multi CAS
No
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
InChI
InChI=1S/C15H16O5/c1-8(2)14(17)15(18)10-6-9-4-5-13(16)20-11(9)7-12(10)19-3/h4-7,14-15,17-18H,1H2,2-3H3
InChIKey
PMZIJDMODGMWOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.82
TPSA
79.9
LogP / Solubility
WLOGP
1.77
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
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
2.5
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