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CAS 365261-27-4 3-BroMo-1-Methyl-1,2,5,6-tetrahydropyridine molecular structure lightbox
CAS RN: 365261-27-4

3-BroMo-1-Methyl-1,2,5,6-tetrahydropyridine

  • Product code: SSC-143717
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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: ＞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 365261-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

365261-27-4 / 5-bromo-1-methyl-3,6-dihydro-2H-pyridine

Standard CAS: 365261-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
365261-27-4
Multi CAS
No
Molecular Formula
BC6H10Rn
Molecular Weight
176.050000
Exact Mass
174.999660
InChI
InChI=1S/C6H10BrN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKey
AEZMVSLMBQQJOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
39.12
TPSA
3.24

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.66

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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