![CAS 16098-20-7 6-Bromo-8-nitrotetrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16098-20-7.gif)
CAS RN: 16098-20-7
6-Bromo-8-nitrotetrazolo[1,5-a]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250906 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS16098-20-7
- Purity/Analytical Methods: >99.0%
16098-20-7 / 6-bromo-8-nitrotetrazolo[1,5-a]pyridine
Basic Information
CAS
16098-20-7
Multi CAS
No
Molecular Formula
C5H2BrN5O2
Molecular Weight
244.010000
Exact Mass
242.939190
SMILES
C1=C(C2=NN=NN2C=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C5H2BrN5O2/c6-3-1-4(11(12)13)5-7-8-9-10(5)2-3/h1-2H
InChIKey
NXTXSMJQRBVECE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
45.14
TPSA
86.22
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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