![CAS 1554534-02-9 1-BROMO-5H,6H,7H,8H-IMIDAZO[1,5-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1554534-02-9.gif)
CAS RN: 1554534-02-9
1-BROMO-5H,6H,7H,8H-IMIDAZO[1,5-A]PYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1554534-02-9
- Purity/Analytical Methods: >99.0%
1554534-02-9 / 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
Basic Information
CAS
1554534-02-9
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
C1CCN2C=NC(=C2C1)Br
InChI
InChI=1S/C7H9BrN2/c8-7-6-3-1-2-4-10(6)5-9-7/h5H,1-4H2
InChIKey
YOKUXJMLZSXEHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
2
Molar refractivity
42.87
TPSA
17.82
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.8
Consensus LogP
1.84
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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