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CAS 19690-70-1 [2,2′-bithiophene]-3,3′-dicarbaldehyde molecular structure lightbox
CAS RN: 19690-70-1

[2,2′-bithiophene]-3,3′-dicarbaldehyde

  • Product code: SSC-092910
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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: ≥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 19690-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

19690-70-1 / 2-(3-formylthiophen-2-yl)thiophene-3-carbaldehyde

Standard CAS: 19690-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19690-70-1
Multi CAS
No
Molecular Formula
C10H6O2S2
Molecular Weight
222.300000
Exact Mass
221.980922
SMILES
C1=CSC(=C1C=O)C2=C(C=CS2)C=O
InChI
InChI=1S/C10H6O2S2/c11-5-7-1-3-13-9(7)10-8(6-12)2-4-14-10/h1-6H
InChIKey
AJBHYQABTQGDED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.41
TPSA
34.14

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
1.9
Consensus LogP
2.58
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.87

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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