CAS RN: 342600-56-0
5-(Pyridin-4-yl)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.20260312 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINP913808
342600-56-0 / 5-pyridin-4-ylfuran-2-carbaldehyde
Basic Information
CAS
342600-56-0
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
InChI
InChI=1S/C10H7NO2/c12-7-9-1-2-10(13-9)8-3-5-11-6-4-8/h1-7H
InChIKey
YGZSNVYXNNIZKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.33
TPSA
43.1
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
1.4
Consensus LogP
1.81
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.25
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
