![CAS 1437229-17-8 5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]oxadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5496-jpgcontextbwfzdgvyfhjvb3r8mzy1mdn8aw1hz2uvanblz3xomjgvagzmlzg5mzaznzuxmdy1otavrdu0otyuanbnfdlizje4zwyxztdhmdbhztayngzkmza1nwu0y2e5zgzmmdm3owu1ngm4otvkody1ndawm2njmmy3otq5nwq5mjg.jpeg)
CAS RN: 1437229-17-8
5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]oxadiazole)
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.20251216 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTD5496
- Purity/Analytical Methods: >98.0%(HPLC)
1437229-17-8 / 5,10-dibromo-[2,1,3]benzoxadiazolo[7,6-g][2,1,3]benzoxadiazole
Basic Information
CAS
1437229-17-8
Multi CAS
No
Molecular Formula
C10H2Br2N4O2
Molecular Weight
369.960000
Exact Mass
369.852400
SMILES
C1=C(C2=NON=C2C3=C1C4=NON=C4C(=C3)Br)Br
InChI
InChI=1S/C10H2Br2N4O2/c11-5-1-3-4(8-9(5)15-18-14-8)2-6(12)10-7(3)13-17-16-10/h1-2H
InChIKey
WCFNNADKSKHJOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
H-bond acceptors
6
Molar refractivity
70.07
TPSA
77.84
LogP / Solubility
WLOGP
3.44
MLOGP
3.05
XLogP3
3.1
Consensus LogP
3.2
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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