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CAS 206257-39-8 ETHYL 6-BROMO-4-CHLORO-3-QUINOLINECARBOXYLATE molecular structure lightbox
CAS RN: 206257-39-8

ETHYL 6-BROMO-4-CHLORO-3-QUINOLINECARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-097218
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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 206257-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

206257-39-8 / ethyl 6-bromo-4-chloroquinoline-3-carboxylate

Standard CAS: 206257-39-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206257-39-8
Multi CAS
No
Molecular Formula
C12H9BrClNO2
Molecular Weight
314.560000
Exact Mass
312.950520
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)Br
InChI
InChI=1S/C12H9BrClNO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
InChIKey
YGMLKBFPHVLHGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.41
TPSA
39.19

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
3.7
Consensus LogP
3.64
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-1.92

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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