![CAS 1368899-07-3 Benzo[d]oxazole-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1368899-07-3.gif)
CAS RN: 1368899-07-3
Benzo[d]oxazole-6-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.20250320 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1368899-07-3
- Purity/Analytical Methods: >99.0%
1368899-07-3 / 1,3-benzoxazole-6-carbonitrile
Basic Information
CAS
1368899-07-3
Multi CAS
No
Molecular Formula
C8H4N2O
Molecular Weight
144.130000
Exact Mass
144.032363
SMILES
C1=CC2=C(C=C1C#N)OC=N2
InChI
InChI=1S/C8H4N2O/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H
InChIKey
CTOVTDJQPCCCNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38.72
TPSA
49.82
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.39
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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