![CAS 95713-52-3 Nα-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide [HPLC Labeling Reagent for e.e. Determination] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d2259-jpgcontextbwfzdgvyfhjvb3r8mzi3ntb8aw1hz2uvanblz3xonjmvagi1lzg5mjk5odaxody2ntqvrdiyntkuanbnfde0mzvlztg4mwi5odq4nde1ogm0zdhizmmyzdk2mdiwmzbinmm5mjjkzwu5ogi1odiyzjnmywrlztg5mjc2mdk.jpeg)
CAS RN: 95713-52-3
Nα-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide [HPLC Labeling Reagent for e.e. Determination]
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 100mg / 250mg / 1g / 5g / 10g / 50g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong, Chongqing | Inquiry |
- Product code: SSC-211356
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: 1g, 5g, 100g, 10g, 0.25g, 25g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
95713-52-3 / 2-(5-fluoro-2,4-dinitroanilino)propanamide
Basic Information
CAS
95713-52-3
Multi CAS
Yes
Molecular Formula
C9FH9N4O5
Molecular Weight
272.190000
Exact Mass
272.055698
InChI
InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)
InChIKey
NEPLBHLFDJOJGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
61.99
TPSA
141.4
LogP / Solubility
WLOGP
0.93
MLOGP
0.83
XLogP3
1.6
Consensus LogP
1.12
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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