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CAS 864443-44-7 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-nitroso-1-piperazinyl)-4-oxo- molecular structure lightbox
CAS RN: 864443-44-7

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 10mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-195504
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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 864443-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

864443-44-7 / 1-cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Standard CAS: 864443-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864443-44-7
Multi CAS
No
Molecular Formula
C17FH17N4O4
Molecular Weight
360.340000
Exact Mass
360.123383
InChI
InChI=1S/C17H17FN4O4/c18-13-7-11-14(8-15(13)20-3-5-21(19-26)6-4-20)22(10-1-2-10)9-12(16(11)23)17(24)25/h7-10H,1-6H2,(H,24,25)
InChIKey
ANFWNIUBWKCSEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.98
TPSA
95.21

LogP / Solubility

WLOGP
1.98
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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