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CAS 948289-14-3 6-BROMO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 948289-14-3

6-BROMO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-210016
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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 948289-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

948289-14-3 / ethyl 6-bromo-2-methylquinoline-3-carboxylate

Standard CAS: 948289-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
948289-14-3
Multi CAS
No
Molecular Formula
BC13H12O2Rn
Molecular Weight
294.140000
Exact Mass
293.005140
InChI
InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChIKey
WOWPFIGSWCNAHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.14
TPSA
39.19

LogP / Solubility

WLOGP
3.48
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.35
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-2.04

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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