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CAS 934192-22-0 Benzyl 4-oxo-3,4-dihydroquinoline-1(2H)-carboxylate molecular structure lightbox
CAS RN: 934192-22-0

Benzyl 4-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

  • Product code: SSC-207622
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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: 0.25g, 1g, 5g
  • 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 934192-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

934192-22-0 / benzyl 4-oxo-2,3-dihydroquinoline-1-carboxylate

Standard CAS: 934192-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
934192-22-0
Multi CAS
No
Molecular Formula
C17H15NO3
Molecular Weight
281.300000
Exact Mass
281.105193
InChI
InChI=1S/C17H15NO3/c19-16-10-11-18(15-9-5-4-8-14(15)16)17(20)21-12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey
ARPDGNMOSXCMJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
79.36
TPSA
46.61

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
2.7
Consensus LogP
3.05
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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