CAS RN: 299442-23-2
2-(5-Formylfuran-2-yl)benzonitrile
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.20251013 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINF913609
299442-23-2 / 2-(5-formylfuran-2-yl)benzonitrile
Basic Information
CAS
299442-23-2
Multi CAS
No
Molecular Formula
C12H7NO2
Molecular Weight
197.190000
Exact Mass
197.047678
InChI
InChI=1S/C12H7NO2/c13-7-9-3-1-2-4-11(9)12-6-5-10(8-14)15-12/h1-6,8H
InChIKey
AXHWLBNYUIICMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.25
TPSA
54
LogP / Solubility
WLOGP
2.63
MLOGP
2.31
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.06
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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