CAS RN: 179898-00-1
TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250719 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260306 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260415 | 10g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20251031 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260209 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250605 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-080233
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
179898-00-1 / tert-butyl 4-oxo-2,3-dihydroquinoline-1-carboxylate
Basic Information
CAS
179898-00-1
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C2=CC=CC=C21
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3
InChIKey
UIFOUBFGWSHWLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.97
TPSA
46.61
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.62
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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