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CAS 22099-23-6 Dibenzothiophene-2-carboxaldehyde molecular structure lightbox
CAS RN: 22099-23-6

Dibenzothiophene-2-carboxaldehyde

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251207 100mg In stock Inquiry
Batchno.20250922 1g In stock Inquiry
Batchno.20250808 200mg In stock Inquiry
Batchno.20260311 200mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
Batchno.20250930 250mg In stock Inquiry
Batchno.20260317 5g In stock Inquiry
  • Product code: SSC-106306
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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: 1g
  • Available purity: ＞97%
  • 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 22099-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

22099-23-6 / dibenzothiophene-2-carbaldehyde

Standard CAS: 22099-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22099-23-6
Multi CAS
No
Molecular Formula
C13H8OS
Molecular Weight
212.270000
Exact Mass
212.029586
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C=O
InChI
InChI=1S/C13H8OS/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
InChIKey
QFGXAEFJJINHAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.72
TPSA
17.07

LogP / Solubility

WLOGP
3.87
MLOGP
3.4
XLogP3
3.8
Consensus LogP
3.69
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

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

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