CAS RN: 532-48-9
Euparin
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.20260526 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS532-48-9
- Purity/Analytical Methods: >99.0%
532-48-9 / 1-(6-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
Basic Information
CAS
532-48-9
Multi CAS
Yes
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
InChI
InChI=1S/C13H12O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-6,15H,1H2,2-3H3
InChIKey
OPUFDNZTKHPZHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.59
TPSA
50.44
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.6
Consensus LogP
3.31
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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