CAS RN: 501126-37-0
4-(4-BOC-PIPERAZINO-1-YL)-3-FLUOROBENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250103 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-156530
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 2 In Stock | Beijing | 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% | 2 In Stock | Shenzhen | Inquiry |
501126-37-0 / tert-butyl 4-(2-fluoro-4-formylphenyl)piperazine-1-carboxylate
Basic Information
CAS
501126-37-0
Multi CAS
No
Molecular Formula
C16FH21N2O3
Molecular Weight
308.350000
Exact Mass
308.153621
InChI
InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19-8-6-18(7-9-19)14-5-4-12(11-20)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3
InChIKey
QHULRHKHBHDEIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.81
TPSA
49.85
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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