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CAS 754131-60-7 3-bromo-2-(bromomethyl)pyridine molecular structure lightbox
CAS RN: 754131-60-7

3-bromo-2-(bromomethyl)pyridine

  • Product code: SSC-184861
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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, 25g
  • Available purity: ≥97%
  • 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 754131-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

754131-60-7 / 3-bromo-2-(bromomethyl)pyridine

Standard CAS: 754131-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
754131-60-7
Multi CAS
No
Molecular Formula
C6H5BR2N
Molecular Weight
250.920000
Exact Mass
250.876820
InChI
InChI=1S/C6H5Br2N/c7-4-6-5(8)2-1-3-9-6/h1-3H,4H2
InChIKey
FVIZOBDAEIFYGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.57
TPSA
12.89

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.1
Consensus LogP
2.42
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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