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CAS 129013-83-8 3-(4-Bromophenyl)pyridine molecular structure lightbox
CAS RN: 129013-83-8

3-(4-Bromophenyl)pyridine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250920 1g In stock Inquiry
Batchno.20251117 250mg In stock Inquiry
Batchno.20260516 25g In stock Inquiry
Batchno.20250314 5g In stock Inquiry
  • Product code: SSC-036205
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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, 5g, 10g
  • Available purity: ≥96%
  • 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 129013-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Beijing Inquiry
5g ≥96% 0 Out of Stock Shanghai Inquiry
10g ≥96% 0 Out of Stock Shenzhen Inquiry

129013-83-8 / 3-(4-bromophenyl)pyridine

Standard CAS: 129013-83-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129013-83-8
Multi CAS
No
Molecular Formula
C11H8BrN
Molecular Weight
234.090000
Exact Mass
232.984010
SMILES
C1=CC(=CN=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
InChIKey
FCHUOBPHXDXZBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.37
TPSA
12.89

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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