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CAS 300590-94-7 4-HYDROXY-2-METHYLQUINOLINE-6-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 300590-94-7

4-HYDROXY-2-METHYLQUINOLINE-6-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-133668
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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 300590-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

300590-94-7 / ethyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate

Standard CAS: 300590-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
300590-94-7
Multi CAS
Yes
Molecular Formula
C13H13NO3
Molecular Weight
231.250000
Exact Mass
231.089543
InChI
InChI=1S/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)12(15)6-8(2)14-11/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey
ZBJWZYUUWDUKMK-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
H-bond donors
1
Molar refractivity
65.26
TPSA
59.16

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.7

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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