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CAS 355406-09-6 1-(2-Methoxyethyl)-2-Methyl-4,9-dioxo-3-(pyrazin-2-ylMethyl)-4,9-dihydro-1H-naphtho[2,3-d]iMidazol-3-iuM chloride molecular structure lightbox
CAS RN: 355406-09-6

1-(2-Methoxyethyl)-2-Methyl-4,9-dioxo-3-(pyrazin-2-ylMethyl)-4,9-dihydro-1H-naphtho[2,3-d]iMidazol-3-iuM chloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS355406-09-6
  • Purity/Analytical Methods: >99.0%
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355406-09-6 / 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride

Standard CAS: 355406-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
355406-09-6
Multi CAS
Yes
Molecular Formula
C20H19CLN4O3
Molecular Weight
398.800000
Exact Mass
398.114568
InChI
InChI=1S/C20H19N4O3.ClH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1
InChIKey
NUZWGSASIPTGSA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
95.68
TPSA
77.96

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.43
XLogP3
-1.65
Consensus LogP
-1.58
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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