![CAS 172943-00-9 Naphth[1,2]oxadiazole, 5-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/172943-00-9.gif)
CAS RN: 172943-00-9
Naphth[1,2]oxadiazole, 5-bromo-
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.20250302 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-075985
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
172943-00-9 / 5-bromobenzo[e][1,2,3]benzoxadiazole
Basic Information
CAS
172943-00-9
Multi CAS
No
Molecular Formula
C10H5BrN2O
Molecular Weight
249.060000
Exact Mass
247.958530
SMILES
C1=CC=C2C(=C1)C(=CC3=C2N=NO3)Br
InChI
InChI=1S/C10H5BrN2O/c11-8-5-9-10(12-13-14-9)7-4-2-1-3-6(7)8/h1-5H
InChIKey
SFOAAINUCLEOEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
3
Molar refractivity
57.01
TPSA
38.92
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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