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CAS 56598-43-7 3,4-[(Thiophene-3,4-diyl)bis(thiophene-3,4-diyl)]thiophene molecular structure lightbox
CAS RN: 56598-43-7

3,4-[(Thiophene-3,4-diyl)bis(thiophene-3,4-diyl)]thiophene

  • Product code: SSC-164598
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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 56598-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56598-43-7 / 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene

Standard CAS: 56598-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56598-43-7
Multi CAS
No
Molecular Formula
C16H8S4
Molecular Weight
328.500000
Exact Mass
327.950885
InChI
InChI=1S/C16H8S4/c1-9-10(2-17-1)12-4-19-6-14(12)16-8-20-7-15(16)13-5-18-3-11(9)13/h1-8H
InChIKey
CBPCBQMVOGRAQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
20
H-bond acceptors
4
Molar refractivity
93.25
TPSA
113.0000

LogP / Solubility

WLOGP
6.91
MLOGP
6.1
XLogP3
5.2
Consensus LogP
6.07
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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