CAS RN: 172602-83-4
ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250602 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250109 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250510 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250516 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260120 | 5g | Out of stock | Inquiry |
- Product code: SSC-075853
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
172602-83-4 / ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylate
Basic Information
CAS
172602-83-4
Multi CAS
No
Molecular Formula
C17H17F2NO4
Molecular Weight
337.320000
Exact Mass
337.112564
SMILES
CCOC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)OCC
InChI
InChI=1S/C17H17F2NO4/c1-3-23-16-13(19)12(18)7-10-14(16)20(9-5-6-9)8-11(15(10)21)17(22)24-4-2/h7-9H,3-6H2,1-2H3
InChIKey
HVSSSDATQQUFJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
83.52
TPSA
57.53
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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