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CAS 64500-54-5 2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 64500-54-5

2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

  • Product code: SSC-174259
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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 64500-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

64500-54-5 / 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid

Standard CAS: 64500-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64500-54-5
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKey
AUVZLBBKIYHBIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.66
TPSA
70.16

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1.2
Consensus LogP
1
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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