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CAS 105404-65-7 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, ethyl ester molecular structure lightbox
CAS RN: 105404-65-7

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, ethyl ester

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 100mg In stock Shanghai Inquiry
Batchno.20260619 1g In stock Shanghai Inquiry
Batchno.20250530 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-007159
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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: 0.25g
  • Available purity: ＞95%
  • 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 105404-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

105404-65-7 / ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate

ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate | Ciprofloxacin Ethyl Ester | MFCD24038928

Standard CAS: 105404-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105404-65-7
Multi CAS
No
Molecular Formula
C19H22FN3O3
Molecular Weight
359.400000
Exact Mass
359.164520
SMILES
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4
InChI
InChI=1S/C19H22FN3O3/c1-2-26-19(25)14-11-23(12-3-4-12)16-10-17(22-7-5-21-6-8-22)15(20)9-13(16)18(14)24/h9-12,21H,2-8H2,1H3
InChIKey
CIADNHRRTXHFIO-UHFFFAOYSA-N
Synonyms
ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate Ciprofloxacin Ethyl Ester MFCD24038928 ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.48
TPSA
63.57

LogP / Solubility

WLOGP
2.06
MLOGP
1.83
XLogP3
1.3
Consensus LogP
1.73
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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