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CAS 1934648-08-4 6,8-Dichloroimidazo[1,5-a]pyrazine molecular structure lightbox
CAS RN: 1934648-08-4

6,8-Dichloroimidazo[1,5-a]pyrazine

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  • Product code: starshine_CAS1934648-08-4
  • Purity/Analytical Methods: >99.0%
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1934648-08-4 / 6-chloroimidazo[1,5-a]pyrazine

Standard CAS: 1934648-08-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1934648-08-4
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=C2C=NC(=CN2C=N1)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-3-10-4-8-1-5(10)2-9-6/h1-4H
InChIKey
PMHKYSYHGKDOBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38
TPSA
30.19

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.43
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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