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CAS 113028-17-4 Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piprazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate molecular structure lightbox
CAS RN: 113028-17-4

Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piprazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013248
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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: ≥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 113028-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

113028-17-4 / ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Standard CAS: 113028-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113028-17-4
Multi CAS
Yes
Molecular Formula
C18H20FN3O3S
Molecular Weight
377.400000
Exact Mass
377.120941
SMILES
CCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)N4CCNCC4
InChI
InChI=1S/C18H20FN3O3S/c1-3-25-18(24)15-16(23)11-8-12(19)14(21-6-4-20-5-7-21)9-13(11)22-10(2)26-17(15)22/h8-10,20H,3-7H2,1-2H3
InChIKey
XWZXETKTFKCCPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
99.77
TPSA
63.57

LogP / Solubility

WLOGP
2.35
MLOGP
2.09
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-3.35

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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