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CAS 4150-50-9 3,10-dimethyl-6,7-dihydrodipyrido[1,2-a:2′,1′-c]pyrazine-5,8-diium bromide molecular structure lightbox
CAS RN: 4150-50-9

3,10-dimethyl-6,7-dihydrodipyrido[1,2-a:2′,1′-c]pyrazine-5,8-diium bromide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4150-50-9
  • Purity/Analytical Methods: >99.0%
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4150-50-9 / 5,12-dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene bromide

Standard CAS: 4150-50-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4150-50-9
Multi CAS
Yes
Molecular Formula
BC14H16Rn2
Molecular Weight
292.190000
Exact Mass
291.049690
InChI
InChI=1S/C14H16N2.2BrH/c1-11-3-5-13-14-6-4-12(2)10-16(14)8-7-15(13)9-11;;/h3-6,9-10H,7-8H2,1-2H3;2*1H/q+2;;/p-2
InChIKey
ZFIMRWLIVBQNKX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
61.74
TPSA
7.76

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.25
XLogP3
-1.44
Consensus LogP
-1.38
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-5.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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