![CAS 1820712-78-4 8-Bromo-6-methyltetrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820712-78-4.gif)
CAS RN: 1820712-78-4
8-Bromo-6-methyltetrazolo[1,5-a]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251215 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1820712-78-4
- Purity/Analytical Methods: >99.0%
1820712-78-4 / 8-bromo-6-methyltetrazolo[1,5-a]pyridine
Basic Information
CAS
1820712-78-4
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
CC1=CN2C(=NN=N2)C(=C1)Br
InChI
InChI=1S/C6H5BrN4/c1-4-2-5(7)6-8-9-10-11(6)3-4/h2-3H,1H3
InChIKey
UQTGCICJLNOAAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
43.22
TPSA
43.08
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.17
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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