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CAS 68882-86-0 6-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester molecular structure lightbox
CAS RN: 68882-86-0

6-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260508 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS68882-86-0
  • Purity/Analytical Methods: >99.0%
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68882-86-0 / methyl 2-oxo-1H-quinoline-6-carboxylate

Standard CAS: 68882-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68882-86-0
Multi CAS
No
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
InChI
InChI=1S/C11H9NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2-6H,1H3,(H,12,13)
InChIKey
TXNYDEDEWIEXSZ-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
1.1
Consensus LogP
1.19
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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