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CAS 1664293-06-4 2,2′-[[6,6,12,12-tetrakis(4-hexylphenyl)-s-indacenodithieno[3,2-b]thiophene]methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis(propanedinitrile) molecular structure lightbox
CAS RN: 1664293-06-4

2,2′-[[6,6,12,12-tetrakis(4-hexylphenyl)-s-indacenodithieno[3,2-b]thiophene]methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis(propanedinitrile)

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260430 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260430 1g In stock Shenzhen Inquiry
Batchno.20250901 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250927 50mg In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 50mg / 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-072658
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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: 0.25g
  • 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 1664293-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1664293-06-4 / 2-[(2Z)-2-[[20-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

Standard CAS: 1664293-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1664293-06-4
Multi CAS
No
Molecular Formula
C94H82N4O2S4
Molecular Weight
1427.900000
Exact Mass
1427.535417
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)/C=C\7/C(=C(C#N)C#N)C8=CC=CC=C8C7=O)C(C9=C4SC1=C9SC(=C1)C=C1C(=C(C#N)C#N)C2=CC=CC=C2C1=O)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
InChI
InChI=1S/C94H82N4O2S4/c1-5-9-13-17-25-59-33-41-65(42-34-59)93(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)89-85(93)91-81(103-89)51-69(101-91)49-77-83(63(55-95)56-96)71-29-21-23-31-73(71)87(77)99)94(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62(40-48-68)28-20-16-12-8-4)86-90(76)104-82-52-70(102-92(82)86)50-78-84(64(57-97)58-98)72-30-22-24-32-74(72)88(78)100/h21-24,29-54H,5-20,25-28H2,1-4H3/b77-49-,78-50-
InChIKey
HQOWCDPFDSRYRO-NBPLLSTCSA-N

Computed Properties

Structural Parameters

Heavy atom count
104
Aromatic heavy atom count
58
Fraction Csp3
0.28
Rotatable bonds
26
H-bond acceptors
10
Molar refractivity
432.75
TPSA
129.3

LogP / Solubility

WLOGP
25.62
MLOGP
22.69
XLogP3
27.5
Consensus LogP
25.27
Log S (ESOL)
-23.53
Class (ESOL)
Insoluble
Log S (Ali)
-29.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-33.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
6.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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