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CAS 23749-58-8 BENZIMIDAZO[2,1-A]BENZ[D,E]ISOQUINOLION-7-ONE molecular structure lightbox
CAS RN: 23749-58-8

BENZIMIDAZO[2,1-A]BENZ[D,E]ISOQUINOLION-7-ONE

Product Availability

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 5g In stock Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 1g Out of stock Inquiry
Batchno.20251106 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251030 5g In stock Shanghai Inquiry
  • Product code: SSC-115381
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23749-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

23749-58-8 / 3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one

Standard CAS: 23749-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23749-58-8
Multi CAS
No
Molecular Formula
C18H10N2O
Molecular Weight
270.300000
Exact Mass
270.079313
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5
InChI
InChI=1S/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H
InChIKey
NZBSAAMEZYOGBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
20
H-bond acceptors
3
Molar refractivity
85.17
TPSA
34.37

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
4
Consensus LogP
3.59
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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