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CAS 502509-20-8 4-Bromo-2-vinylpyridine molecular structure lightbox
CAS RN: 502509-20-8

4-Bromo-2-vinylpyridine

  • Product code: SSC-156664
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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 502509-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

502509-20-8 / 4-bromo-2-ethenylpyridine

Standard CAS: 502509-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
502509-20-8
Multi CAS
No
Molecular Formula
BC7H6Rn
Molecular Weight
184.030000
Exact Mass
182.968360
InChI
InChI=1S/C7H6BrN/c1-2-7-5-6(8)3-4-9-7/h2-5H,1H2
InChIKey
QBMLHPIOOYOBLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
42.03
TPSA
12.89

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.08

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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