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CAS 1392422-47-7 2,5-Bis(2-ethylhexyl)-3,6-bis(5-(trimethylstannyl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione molecular structure lightbox
CAS RN: 1392422-47-7

2,5-Bis(2-ethylhexyl)-3,6-bis(5-(trimethylstannyl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250922 100mg In stock Shanghai Inquiry
Batchno.20251217 250mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250415 100mg In stock Shanghai Inquiry
Batchno.20251215 1g In stock Chengdu Inquiry
Batchno.20251119 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-049675
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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 1392422-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1392422-47-7 / 2,5-bis(2-ethylhexyl)-1,4-bis(5-trimethylstannylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

Standard CAS: 1392422-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392422-47-7
Multi CAS
No
Molecular Formula
C36H56N2O2S2Sn2
Molecular Weight
850.400000
Exact Mass
850.182130
SMILES
CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)[Sn](C)(C)C)C1=O)C4=CC=C(S4)[Sn](C)(C)C
InChI
InChI=1S/C30H38N2O2S2.6CH3.2Sn/c1-5-9-13-21(7-3)19-31-27(23-15-11-17-35-23)25-26(29(31)33)28(24-16-12-18-36-24)32(30(25)34)20-22(8-4)14-10-6-2;;;;;;;;/h11-12,15-16,21-22H,5-10,13-14,19-20H2,1-4H3;6*1H3;;
InChIKey
TXZZSZDCOCQKCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
10
Fraction Csp3
0.61
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
198.48
TPSA
40.62

LogP / Solubility

WLOGP
9.14
MLOGP
8.12
XLogP3
9.14
Consensus LogP
8.8
Log S (ESOL)
-9.98
Class (ESOL)
Insoluble
Log S (Ali)
-13.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

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

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