CAS RN: 1235440-87-5
2-(2-Furyl)isonicotinonitrile
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.20250331 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1235440-87-5
- Purity/Analytical Methods: >99.0%
1235440-87-5 / 2-(furan-2-yl)pyridine-4-carbonitrile
Basic Information
CAS
1235440-87-5
Multi CAS
No
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
SMILES
C1=COC(=C1)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C10H6N2O/c11-7-8-3-4-12-9(6-8)10-2-1-5-13-10/h1-6H
InChIKey
RIBJEWUKLBLADD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.65
TPSA
49.82
LogP / Solubility
WLOGP
2.21
MLOGP
1.94
XLogP3
1.3
Consensus LogP
1.82
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.19
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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