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CAS 36926-83-7 2-AMINO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 36926-83-7

2-AMINO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-144201
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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: ≥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 36926-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36926-83-7 / ethyl 2-aminoquinoline-3-carboxylate

Standard CAS: 36926-83-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36926-83-7
Multi CAS
Yes
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChIKey
VTWSVSQLRSMHDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.11
TPSA
65.21

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.6
Consensus LogP
2.12
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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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