![CAS 294858-41-6 Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-, (2S)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/294858-41-6.png)
CAS RN: 294858-41-6
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-, (2S)- (9CI)
- Product code: SSC-132378
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: 0.05g, 0.1g, 0.25g, 5g, 1g
- 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 |
|---|---|---|---|---|
| 0.05g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
294858-41-6 / (2S)-2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
294858-41-6
Multi CAS
Yes
Molecular Formula
C8FH14NO4
Molecular Weight
207.200000
Exact Mass
207.090686
InChI
InChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-4-5(9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
InChIKey
OYUCZGVVXISNFC-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.77
TPSA
75.63
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: SSC-132385
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