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CAS 303121-10-0 6-ETHOXY-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 303121-10-0

6-ETHOXY-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID

  • Product code: SSC-134395
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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 303121-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

303121-10-0 / 6-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid

Standard CAS: 303121-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
303121-10-0
Multi CAS
Yes
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
InChI
InChI=1S/C12H11NO4/c1-2-17-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey
FRMATZBTAXOKFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.7
TPSA
79.39

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
2.2
Consensus LogP
1.75
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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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