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CAS 1416438-38-4 3-BroMo-5-Methoxyquinoline molecular structure lightbox
CAS RN: 1416438-38-4

3-BroMo-5-Methoxyquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-052105
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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: 0.1g
  • 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 1416438-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1416438-38-4 / 3-bromo-5-methoxyquinoline

Standard CAS: 1416438-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416438-38-4
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
COC1=CC=CC2=C1C=C(C=N2)Br
InChI
InChI=1S/C10H8BrNO/c1-13-10-4-2-3-9-8(10)5-7(11)6-12-9/h2-6H,1H3
InChIKey
ZWDNTOJIDPGGDV-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
2
Molar refractivity
56
TPSA
22.12

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

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

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