[email protected]
CAS 16377-62-1 Ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate molecular structure lightbox
CAS RN: 16377-62-1

Ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260415 100mg In stock Inquiry
Batchno.20250328 1g In stock Inquiry
Batchno.20260123 500mg In stock Inquiry
  • Product code: starshine_CAS16377-62-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

16377-62-1 / ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate

Standard CAS: 16377-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16377-62-1
Multi CAS
No
Molecular Formula
C12H10FNO3
Molecular Weight
235.210000
Exact Mass
235.064471
SMILES
CCOC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)F
InChI
InChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)
InChIKey
DEPYDFBYFAIPPA-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

Customers Also Viewed

Get In Touch

Contact Us