CAS RN: 57268-39-0
5-(4-ACETYL-PHENYL)-FURAN-2-CARBALDEHYDE
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.20250506 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57268-39-0
- Purity/Analytical Methods: >99.0%
57268-39-0 / 5-(4-acetylphenyl)furan-2-carbaldehyde
Basic Information
CAS
57268-39-0
Multi CAS
No
Molecular Formula
C13H10O3
Molecular Weight
214.220000
Exact Mass
214.062994
InChI
InChI=1S/C13H10O3/c1-9(15)10-2-4-11(5-3-10)13-7-6-12(8-14)16-13/h2-8H,1H3
InChIKey
BVPMCORRAXYAAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.54
TPSA
47.28
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
2.1
Consensus LogP
2.56
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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