CAS RN: 263349-18-4
3-(Furan-2-yl)benzaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS263349-18-4
- Purity/Analytical Methods: >99.0%
263349-18-4 / 3-(furan-2-yl)benzaldehyde
Basic Information
CAS
263349-18-4
Multi CAS
No
Molecular Formula
C11H8O2
Molecular Weight
172.180000
Exact Mass
172.052429
SMILES
C1=CC(=CC(=C1)C2=CC=CO2)C=O
InChI
InChI=1S/C11H8O2/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H
InChIKey
BTAANNDAXIYWAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.53
TPSA
30.21
LogP / Solubility
WLOGP
2.76
MLOGP
2.42
XLogP3
2.1
Consensus LogP
2.43
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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