CAS RN: 1543042-73-4
2,1,3-Benzoselenadiazole-4-carboxaldehyde, 7-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.20251128 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1543042-73-4
- Purity/Analytical Methods: >99.0%
1543042-73-4 / 4-bromo-2,1,3-benzoselenadiazole-7-carbaldehyde
Basic Information
CAS
1543042-73-4
Multi CAS
No
Molecular Formula
C7H3BrN2OSe
Molecular Weight
289.990000
Exact Mass
289.859400
SMILES
C1=C(C2=N[Se]N=C2C(=C1)Br)C=O
InChI
InChI=1S/C7H3BrN2OSe/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H
InChIKey
AUDKGPDDLHZLTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.57
TPSA
42.85
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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