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CAS 1562194-63-1 5-(Bromomethyl)quinoline hydrobromide molecular structure lightbox
CAS RN: 1562194-63-1

5-(Bromomethyl)quinoline hydrobromide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-065268
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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 1562194-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1562194-63-1 / 5-(bromomethyl)quinoline;hydrobromide

Standard CAS: 1562194-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1562194-63-1
Multi CAS
No
Molecular Formula
C10H9Br2N
Molecular Weight
302.990000
Exact Mass
302.908130
SMILES
C1=CC(=C2C=CC=NC2=C1)CBr.Br
InChI
InChI=1S/C10H8BrN.BrH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;/h1-6H,7H2;1H
InChIKey
QBYYUPXBEUSTJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.7
TPSA
12.89

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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
No
Log Kp (skin permeation)
-1.94

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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