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CAS 103028-31-5 4-BROMO-8-METHOXYQUINOLINE molecular structure lightbox
CAS RN: 103028-31-5

4-BROMO-8-METHOXYQUINOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004448
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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 103028-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

103028-31-5 / 4-bromo-8-methoxyquinoline

4-Bromo-8-methoxyquinoline | DTXSID80568411 | RefChem:98160

Standard CAS: 103028-31-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103028-31-5
Multi CAS
Yes
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
COC1=CC=CC2=C(C=CN=C21)Br
InChI
InChI=1S/C10H8BrNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
InChIKey
ZTCUNVSNCQDTQR-UHFFFAOYSA-N
Synonyms
4-Bromo-8-methoxyquinoline DTXSID80568411 RefChem:98160 DTXCID80519185 802-496-1

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
2.5
Consensus LogP
2.72
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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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