![CAS 767-65-7 BENZO[1,2,5]SELENADIAZOL-4-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4222107.gif)
CAS RN: 767-65-7
BENZO[1,2,5]SELENADIAZOL-4-YLAMINE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS767-65-7
- Purity/Analytical Methods: >99.0%
767-65-7 / 2,1,3-benzoselenadiazol-4-amine
Basic Information
CAS
767-65-7
Multi CAS
No
Molecular Formula
C6H5N3SE
Molecular Weight
198.100000
Exact Mass
198.964870
InChI
InChI=1S/C6H5N3Se/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey
HPSPYVQQELOQOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.89
TPSA
51.8
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
