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CAS 613-53-6 2-Tribromomethylquinoline molecular structure lightbox
CAS RN: 613-53-6

2-Tribromomethylquinoline

  • Product code: SSC-170113
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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: 5g
  • 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 613-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

613-53-6 / 2-(tribromomethyl)quinoline

Standard CAS: 613-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
613-53-6
Multi CAS
Yes
Molecular Formula
C10H6BR3N
Molecular Weight
379.870000
Exact Mass
378.802990
InChI
InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKey
UDYYQHILRSDDMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
70.2
TPSA
12.89

LogP / Solubility

WLOGP
4.53
MLOGP
4.01
XLogP3
4.4
Consensus LogP
4.31
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
Yes
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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