CAS RN: 1379369-69-3
2-Iodooxazole-4-carbonitrile
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.20260223 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1379369-69-3
- Purity/Analytical Methods: >99.0%
1379369-69-3 / 2-iodo-1,3-oxazole-4-carbonitrile
Basic Information
CAS
1379369-69-3
Multi CAS
No
Molecular Formula
C4HIN2O
Molecular Weight
219.970000
Exact Mass
219.913360
SMILES
C1=C(N=C(O1)I)C#N
InChI
InChI=1S/C4HIN2O/c5-4-7-3(1-6)2-8-4/h2H
InChIKey
GARZCDZQSLWKBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
3
Molar refractivity
33.94
TPSA
49.82
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
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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