CAS RN: 681457-46-5
1-O-acetyl Britannilactone
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.20250103 | 10mg / 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS681457-46-5
- Purity/Analytical Methods: >99.0%
681457-46-5 / 4-(4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl acetate
Basic Information
CAS
681457-46-5
Multi CAS
Yes
Molecular Formula
C17H24O5
Molecular Weight
308.400000
Exact Mass
308.162374
InChI
InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3
InChIKey
QKUFZFLZBUSEHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.86
TPSA
72.83
LogP / Solubility
WLOGP
2.14
MLOGP
1.9
XLogP3
1.3
Consensus LogP
1.78
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
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
4.5
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