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CAS 101422-06-4 5-Bromo-8-ethoxyquinoline molecular structure lightbox
CAS RN: 101422-06-4

5-Bromo-8-ethoxyquinoline

  • Product code: SSC-002270
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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 101422-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

101422-06-4 / 5-bromo-8-ethoxyquinoline

5-Bromo-8-ethoxyquinoline | MFCD28338830 | 5-bromo-8-ethoxy-quinoline

Standard CAS: 101422-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101422-06-4
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CCOC1=C2C(=C(C=C1)Br)C=CC=N2
InChI
InChI=1S/C11H10BrNO/c1-2-14-10-6-5-9(12)8-4-3-7-13-11(8)10/h3-7H,2H2,1H3
InChIKey
YWRLGKQWWBICOO-UHFFFAOYSA-N
Synonyms
5-Bromo-8-ethoxyquinoline MFCD28338830 5-bromo-8-ethoxy-quinoline SCHEMBL23359957 BS-29922

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.61
TPSA
22.12

LogP / Solubility

WLOGP
3.4
MLOGP
2.99
XLogP3
2.9
Consensus LogP
3.1
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.85

Drug-likeness / Medicinal Chemistry

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

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