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CAS 94581-95-0 2-Bromoterthiophene molecular structure lightbox
CAS RN: 94581-95-0

2-Bromoterthiophene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-209656
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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 94581-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

94581-95-0 / 2-bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

Standard CAS: 94581-95-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94581-95-0
Multi CAS
Yes
Molecular Formula
C12H7BRS3
Molecular Weight
327.300000
Exact Mass
325.889330
InChI
InChI=1S/C12H7BrS3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H
InChIKey
HNMURGGRBMOMLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.65
TPSA
84.7000

LogP / Solubility

WLOGP
5.97
MLOGP
5.27
XLogP3
5.4
Consensus LogP
5.55
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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