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CAS 43134-09-4 1,3-BIS(4-DIMETHYLAMINO-PHENYL)-2-OXO-CYCLOBUTEYYLIUM-4-OLAT molecular structure lightbox
CAS RN: 43134-09-4

1,3-BIS(4-DIMETHYLAMINO-PHENYL)-2-OXO-CYCLOBUTEYYLIUM-4-OLAT

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250613 100mg In stock Inquiry
Batchno.20250531 1g In stock Inquiry
Batchno.20250706 250mg In stock Inquiry
  • Product code: starshine_CAS43134-09-4
  • Purity/Analytical Methods: >99.0%
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43134-09-4 / 2-[4-(dimethylamino)phenyl]-4-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate

Standard CAS: 43134-09-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43134-09-4
Multi CAS
Yes
Molecular Formula
C20H20N2O2
Molecular Weight
320.400000
Exact Mass
320.152478
InChI
InChI=1S/C20H20N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
InChIKey
HERJDZWHZQOZLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
95.12
TPSA
46.38

LogP / Solubility

WLOGP
1.54
MLOGP
1.37
XLogP3
2.7
Consensus LogP
1.87
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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