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CAS 172319-75-4 5-Bromo-2-Propylthiophene molecular structure lightbox
CAS RN: 172319-75-4

5-Bromo-2-Propylthiophene

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 1g In stock Inquiry
Batchno.20251213 250mg In stock Inquiry
Batchno.20250226 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-075771
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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: 5g
  • 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 172319-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

172319-75-4 / 2-bromo-5-propylthiophene

Standard CAS: 172319-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172319-75-4
Multi CAS
No
Molecular Formula
C7H9BrS
Molecular Weight
205.120000
Exact Mass
203.960830
SMILES
CCCC1=CC=C(S1)Br
InChI
InChI=1S/C7H9BrS/c1-2-3-6-4-5-7(8)9-6/h4-5H,2-3H2,1H3
InChIKey
AZMSRFANKVHIEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.01
TPSA
28.2000

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.8
Consensus LogP
3.44
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

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

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