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CAS 71083-06-2 ETHYL 1,4-DIHYDRO-8-FLUORO-4-OXOQUINOLINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 71083-06-2

ETHYL 1,4-DIHYDRO-8-FLUORO-4-OXOQUINOLINE-3-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71083-06-2
  • Purity/Analytical Methods: >99.0%
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71083-06-2 / ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate

Standard CAS: 71083-06-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71083-06-2
Multi CAS
Yes
Molecular Formula
C12FH10NO3
Molecular Weight
235.210000
Exact Mass
235.064471
InChI
InChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
MPUYCZQHTGRPNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.48
TPSA
59.16

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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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