CAS RN: 182868-72-0
3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-6-fluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS182868-72-0
- Purity/Analytical Methods: >99.0%
182868-72-0 / 1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
182868-72-0
Multi CAS
No
Molecular Formula
C20H24FN3O4
Molecular Weight
389.400000
Exact Mass
389.175084
SMILES
CCOC1=C2C(=CC(=C1N3CCNC(C3)C)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C20H24FN3O4/c1-3-28-19-16-13(8-15(21)17(19)23-7-6-22-11(2)9-23)18(25)14(20(26)27)10-24(16)12-4-5-12/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
OWEQWFYVHJAGCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.24
TPSA
83.8
LogP / Solubility
WLOGP
2.37
MLOGP
2.11
XLogP3
-0.4
Consensus LogP
1.36
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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