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CAS 489-75-8 4-QUINOLINECARBOXYLIC ACID,8-METHOXY-2-PHENYL- molecular structure lightbox
CAS RN: 489-75-8

4-QUINOLINECARBOXYLIC ACID,8-METHOXY-2-PHENYL-

  • Product code: SSC-155457
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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 489-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

489-75-8 / 8-methoxy-2-phenylquinoline-4-carboxylic acid

Standard CAS: 489-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
489-75-8
Multi CAS
No
Molecular Formula
C17H13NO3
Molecular Weight
279.290000
Exact Mass
279.089543
InChI
InChI=1S/C17H13NO3/c1-21-15-9-5-8-12-13(17(19)20)10-14(18-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20)
InChIKey
ASHDEYOBUFZOND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.69
TPSA
59.42

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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