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CAS 172426-88-9 3-Quinolinecarboxylic acid, 7-aMino-1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-4-oxo- molecular structure lightbox
CAS RN: 172426-88-9

3-Quinolinecarboxylic acid, 7-aMino-1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-4-oxo-

  • Product code: SSC-075804
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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: ＞97%
  • 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 172426-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

172426-88-9 / 7-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Standard CAS: 172426-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172426-88-9
Multi CAS
No
Molecular Formula
C14H13FN2O4
Molecular Weight
292.260000
Exact Mass
292.085935
SMILES
COC1=C2C(=CC(=C1N)F)C(=O)C(=CN2C3CC3)C(=O)O
InChI
InChI=1S/C14H13FN2O4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3,16H2,1H3,(H,19,20)
InChIKey
HFMKHBDEIOYPRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.36
TPSA
94.55

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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