CAS RN: 211943-13-4
5-(5-BROMO-3-PYRIDYL)-1H-TETRAZOLE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS211943-13-4
- Purity/Analytical Methods: >99.0%
211943-13-4 / 3-bromo-5-(2H-tetrazol-5-yl)pyridine
Basic Information
CAS
211943-13-4
Multi CAS
No
Molecular Formula
C6H4BrN5
Molecular Weight
226.030000
Exact Mass
224.965010
SMILES
C1=C(C=NC=C1Br)C2=NNN=N2
InChI
InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey
XJGDASCALCDOQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.11
TPSA
67.35
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.37
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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![CAS 211949-57-4 2-Thio-1,3-oxazolo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211949-57-4.gif)
