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CAS 61707-79-7 Methyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate molecular structure lightbox
CAS RN: 61707-79-7

Methyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate

  • Product code: SSC-170667
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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 61707-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

61707-79-7 / methyl 4-oxo-1H-quinoline-3-carboxylate

Standard CAS: 61707-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61707-79-7
Multi CAS
Yes
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
InChI
InChI=1S/C11H9NO3/c1-15-11(14)8-6-12-9-5-3-2-4-7(9)10(8)13/h2-6H,1H3,(H,12,13)
InChIKey
VFKCZUXTGSMROI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.91
TPSA
59.16

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

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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