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CAS 1639134-02-3 Benzaldehyde,4,4′-[2-[4,5-bis(4-formylphenyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-diyl]bis- molecular structure lightbox
CAS RN: 1639134-02-3

Benzaldehyde,4,4′-[2-[4,5-bis(4-formylphenyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-diyl]bis-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-071506
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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 1639134-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1639134-02-3 / 4-[2-[4,5-bis(4-formylphenyl)-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)-1,3-dithiol-4-yl]benzaldehyde

Standard CAS: 1639134-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1639134-02-3
Multi CAS
No
Molecular Formula
C34H20O4S4
Molecular Weight
620.800000
Exact Mass
620.024444
SMILES
C1=CC(=CC=C1C=O)C2=C(SC(=C3SC(=C(S3)C4=CC=C(C=C4)C=O)C5=CC=C(C=C5)C=O)S2)C6=CC=C(C=C6)C=O
InChI
InChI=1S/C34H20O4S4/c35-17-21-1-9-25(10-2-21)29-30(26-11-3-22(18-36)4-12-26)40-33(39-29)34-41-31(27-13-5-23(19-37)6-14-27)32(42-34)28-15-7-24(20-38)8-16-28/h1-20H
InChIKey
RLELZGCAYDJDTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
178.34
TPSA
68.28

LogP / Solubility

WLOGP
9.37
MLOGP
8.3
XLogP3
6.9
Consensus LogP
8.19
Log S (ESOL)
-9.49
Class (ESOL)
Insoluble
Log S (Ali)
-11.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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