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CAS 32081-22-4 2,3:4,5-Di[1,3]butadieno-6H-3a-aza-1H-phenalene-1,6-dione molecular structure lightbox
CAS RN: 32081-22-4

2,3:4,5-Di[1,3]butadieno-6H-3a-aza-1H-phenalene-1,6-dione

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260130 100mg In stock Shanghai Inquiry
Batchno.20250811 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260318 1g In stock Shanghai Inquiry
Batchno.20260208 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS32081-22-4
  • Purity/Analytical Methods: >99.0%
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32081-22-4 / 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione

Standard CAS: 32081-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32081-22-4
Multi CAS
No
Molecular Formula
C20H11NO2
Molecular Weight
297.300000
Exact Mass
297.078979
InChI
InChI=1S/C20H11NO2/c22-19-12-6-1-3-10-16(12)21-17-11-4-2-7-13(17)20(23)15-9-5-8-14(19)18(15)21/h1-11H
InChIKey
YDGSSOWNWNPOKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
21
H-bond acceptors
3
Molar refractivity
93.64
TPSA
38.55

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
4.2
Consensus LogP
3.63
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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