CAS RN: 847986-13-4
Ethyl 3-(Boc-aMino)-2,2-difluoropropanoate
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.20260529 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-192426
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, 0.1g, 0.25g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 3
- 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 | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
847986-13-4 / ethyl 2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
847986-13-4
Multi CAS
No
Molecular Formula
C10F2H17NO4
Molecular Weight
253.240000
Exact Mass
253.112564
InChI
InChI=1S/C10H17F2NO4/c1-5-16-7(14)10(11,12)6-13-8(15)17-9(2,3)4/h5-6H2,1-4H3,(H,13,15)
InChIKey
LYQQVOPAOGCYKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.82
TPSA
64.63
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.9
Consensus LogP
1.71
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 847997-73-3 (ALPHAS,ALPHAS)-1,1′-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2′-BIS[DI(3,5-XYLYL)PHOSPHINO]FERROCENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847997-73-3.gif)
