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CAS 32431-91-7 Thiophene, 2,5-dibromo-3-chloro- molecular structure lightbox
CAS RN: 32431-91-7

Thiophene, 2,5-dibromo-3-chloro-

  • Product code: SSC-138013
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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 32431-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

32431-91-7 / 2,5-dibromo-3-chlorothiophene

Standard CAS: 32431-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32431-91-7
Multi CAS
No
Molecular Formula
C4HBR2CLS
Molecular Weight
276.380000
Exact Mass
275.783370
InChI
InChI=1S/C4HBr2ClS/c5-3-1-2(7)4(6)8-3/h1H
InChIKey
PDFIWWRRJPGOEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
44.73
TPSA
28.2000

LogP / Solubility

WLOGP
3.93
MLOGP
3.46
XLogP3
4.3
Consensus LogP
3.9
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

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

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