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CAS 1034449-18-7 2-(2,4,6-Trimethylphenyl)-5-methylimidazo[1,5-a]pyridinim chloride molecular structure lightbox
CAS RN: 1034449-18-7

2-(2,4,6-Trimethylphenyl)-5-methylimidazo[1,5-a]pyridinim chloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100mg In stock Shanghai Inquiry
Batchno.20250813 1g In stock Shanghai Inquiry
Batchno.20250106 250mg In stock Shanghai Inquiry
Batchno.20260619 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1034449-18-7
  • Purity/Analytical Methods: >99.0%
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1034449-18-7 / 5-methyl-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium chloride

2-Mesityl-5-methylimidazo[1,5-a]pyridinium chloride | 5-Methyl-2-(2,4,6-trimethylphenyl)-2H-imidazo[1,5-a]pyridin-4-ium chloride | 2-Mesityl-5-methyl-2h-imidazo[1,5-a]pyridin-4-ium chloride

Standard CAS: 1034449-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1034449-18-7
Multi CAS
No
Molecular Formula
C17H19ClN2
Molecular Weight
286.800000
Exact Mass
286.123676
SMILES
CC1=CC=CC2=C[N+](=CN12)C3=C(C=C(C=C3C)C)C.[Cl-]
InChI
InChI=1S/C17H19N2.ClH/c1-12-8-13(2)17(14(3)9-12)18-10-16-7-5-6-15(4)19(16)11-18;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey
DJFXURXZOPNPGY-UHFFFAOYSA-M
Synonyms
2-Mesityl-5-methylimidazo[1,5-a]pyridinium chloride 5-Methyl-2-(2,4,6-trimethylphenyl)-2H-imidazo[1,5-a]pyridin-4-ium chloride 2-Mesityl-5-methyl-2h-imidazo[1,5-a]pyridin-4-ium chloride 5-methyl-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;chloride 2-(2,4,6-Trimethylphenyl)-5-methylimidazo[1,5-a]pyridinim chloride

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
77.88
TPSA
8.29

LogP / Solubility

WLOGP
0.45
MLOGP
0.41
XLogP3
0.45
Consensus LogP
0.44
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
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)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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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