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CAS 849797-78-0 2-BENZYLIMIDAZO(1,5-A)QUINOLINIUM CHLORIDE molecular structure lightbox
CAS RN: 849797-78-0

2-BENZYLIMIDAZO(1,5-A)QUINOLINIUM CHLORIDE

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Batchno.20250818 250mg Out of stock Inquiry
  • Product code: starshine_CAS849797-78-0
  • Purity/Analytical Methods: >99.0%
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849797-78-0 / 2-benzylimidazo[1,5-a]quinolin-2-ium chloride

Standard CAS: 849797-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849797-78-0
Multi CAS
No
Molecular Formula
C18H15CLN2
Molecular Weight
294.800000
Exact Mass
294.092376
InChI
InChI=1S/C18H15N2.ClH/c1-2-6-15(7-3-1)12-19-13-17-11-10-16-8-4-5-9-18(16)20(17)14-19;/h1-11,13-14H,12H2;1H/q+1;/p-1
InChIKey
IMLMRTJDPGTOBG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
19
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
80.64
TPSA
8.29

LogP / Solubility

WLOGP
0.43
MLOGP
0.39
XLogP3
0.43
Consensus LogP
0.42
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-4.21

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
3

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