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CAS 2239295-69-1 IN1776, (4,8-Bis(4-chloro-5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(trimethylstannane) molecular structure lightbox
CAS RN: 2239295-69-1

IN1776, (4,8-Bis(4-chloro-5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(trimethylstannane)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 100mg In stock Shanghai Inquiry
Batchno.20251010 1g In stock Shanghai Inquiry
Batchno.20260528 250mg In stock Shanghai Inquiry
  • Product code: SSC-109135
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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 2239295-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2239295-69-1 / [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

Standard CAS: 2239295-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2239295-69-1
Multi CAS
No
Molecular Formula
C40H56Cl2S4Sn2
Molecular Weight
973.500000
Exact Mass
972.068000
SMILES
CCCCC(CC)CC1=C(C=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC(=C(S5)CC(CC)CCCC)Cl)[Sn](C)(C)C)Cl
InChI
InChI=1S/C34H38Cl2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
VXLARDDMGOLESE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
22
Fraction Csp3
0.55
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
233.83
TPSA
113.0000

LogP / Solubility

WLOGP
15.49
MLOGP
13.72
XLogP3
15.49
Consensus LogP
14.9
Log S (ESOL)
-14.92
Class (ESOL)
Insoluble
Log S (Ali)
-18.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.76
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)
2.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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