CAS RN: 252928-81-7
3-(5-oxazolyl)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.20250213 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS252928-81-7
- Purity/Analytical Methods: >99.0%
252928-81-7 / 3-(1,3-oxazol-5-yl)benzonitrile
Basic Information
CAS
252928-81-7
Multi CAS
No
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
InChI
InChI=1S/C10H6N2O/c11-5-8-2-1-3-9(4-8)10-6-12-7-13-10/h1-4,6-7H
InChIKey
AZYMFASSDTVBOB-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
1.7
Consensus LogP
1.95
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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![CAS 252935-94-7 2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252935-94-7.gif)