CAS RN: 190775-71-4
Ethanone, 1-(5-benzofuranyl)- (9CI)
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.20260329 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS190775-71-4
- Purity/Analytical Methods: >99.0%
190775-71-4 / 1-(1-benzofuran-5-yl)ethanone
Basic Information
CAS
190775-71-4
Multi CAS
No
Molecular Formula
C10H8O2
Molecular Weight
160.170000
Exact Mass
160.052429
SMILES
CC(=O)C1=CC2=C(C=C1)OC=C2
InChI
InChI=1S/C10H8O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-6H,1H3
InChIKey
HKZKHVRQQAJMBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.22
TPSA
30.21
LogP / Solubility
WLOGP
2.64
MLOGP
2.31
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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