![CAS 233-64-7 Naphth[1,2-c][1,2,5]oxadiazole (6CI,7CI,8CI,9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/233-64-7.gif)
CAS RN: 233-64-7
Naphth[1,2-c][1,2,5]oxadiazole (6CI,7CI,8CI,9CI)
- Product code: SSC-113015
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
233-64-7 / benzo[g][2,1,3]benzoxadiazole
Basic Information
CAS
233-64-7
Multi CAS
No
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
SMILES
C1=CC=C2C(=C1)C=CC3=NON=C32
InChI
InChI=1S/C10H6N2O/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H
InChIKey
NJTRQUAVHGAZEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
3
Molar refractivity
49.31
TPSA
38.92
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.07
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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