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CAS 345633-76-3 4,4′-didodecyl-2,2′-bithiophene molecular structure lightbox
CAS RN: 345633-76-3

4,4′-didodecyl-2,2′-bithiophene

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250808 1g Out of stock Inquiry
Batchno.20260616 250mg In stock Shanghai Inquiry
Batchno.20260214 25g Out of stock Inquiry
Batchno.20251010 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-141040
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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 345633-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

345633-76-3 / 4-dodecyl-2-(4-dodecylthiophen-2-yl)thiophene

Standard CAS: 345633-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345633-76-3
Multi CAS
No
Molecular Formula
C32H54S2
Molecular Weight
502.900000
Exact Mass
502.366694
InChI
InChI=1S/C32H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-31(33-27-29)32-26-30(28-34-32)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKey
DWWZELSEBSRUMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
23
H-bond acceptors
2
Molar refractivity
158.73
TPSA
56.5000

LogP / Solubility

WLOGP
12.4
MLOGP
10.95
XLogP3
15.4
Consensus LogP
12.92
Log S (ESOL)
-9.47
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.98
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)
3.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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