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CAS 1446476-79-4 Dithieno[2,3-d:2′,3′-d]benzo[1,2-b:4,5-b’]dithiophene-5,10-dione molecular structure lightbox
CAS RN: 1446476-79-4

Dithieno[2,3-d:2′,3′-d]benzo[1,2-b:4,5-b’]dithiophene-5,10-dione

  • Product code: SSC-055892
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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 1446476-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1446476-79-4 / 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),3(10),4(8),6,13(17),15-hexaene-2,11-dione

Standard CAS: 1446476-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446476-79-4
Multi CAS
No
Molecular Formula
C14H4O2S4
Molecular Weight
332.400000
Exact Mass
331.909414
SMILES
C1=CSC2=C1SC3=C2C(=O)C4=C(C3=O)C5=C(S4)C=CS5
InChI
InChI=1S/C14H4O2S4/c15-9-7-11-5(1-3-17-11)19-13(7)10(16)8-12-6(2-4-18-12)20-14(8)9/h1-4H
InChIKey
WLFGOAKCRXHRHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
H-bond acceptors
6
Molar refractivity
86.27
TPSA
34.14

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.1
Consensus LogP
4.85
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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