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CAS 136902-53-9 5-Bromo-2-(5-bromo-2-thienyl)pyridine molecular structure lightbox
CAS RN: 136902-53-9

5-Bromo-2-(5-bromo-2-thienyl)pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-046222
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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: ≥98%
  • 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 136902-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

136902-53-9 / 5-bromo-2-(5-bromothiophen-2-yl)pyridine

Standard CAS: 136902-53-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136902-53-9
Multi CAS
No
Molecular Formula
C9H5Br2NS
Molecular Weight
319.020000
Exact Mass
318.848900
SMILES
C1=CC(=NC=C1Br)C2=CC=C(S2)Br
InChI
InChI=1S/C9H5Br2NS/c10-6-1-2-7(12-5-6)8-3-4-9(11)13-8/h1-5H
InChIKey
AZBHJODALOVOSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.95
TPSA
12.89

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
3.9
Consensus LogP
4.02
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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