![CAS 1823940-34-6 6-BROMO-8-CHLOROTETRAZOLO[1,5-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823940-34-6.gif)
CAS RN: 1823940-34-6
6-BROMO-8-CHLOROTETRAZOLO[1,5-A]PYRAZINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250209 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1823940-34-6
- Purity/Analytical Methods: >99.0%
1823940-34-6 / 6-bromo-8-chlorotetrazolo[1,5-a]pyrazine
Basic Information
CAS
1823940-34-6
Multi CAS
No
Molecular Formula
C4HBrClN5
Molecular Weight
234.440000
Exact Mass
232.910390
SMILES
C1=C(N=C(C2=NN=NN21)Cl)Br
InChI
InChI=1S/C4HBrClN5/c5-2-1-11-4(3(6)7-2)8-9-10-11/h1H
InChIKey
HXMVUWGOOOGOBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
5
Molar refractivity
41.29
TPSA
55.97
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
1.2
Consensus LogP
0.99
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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