![CAS 52558-23-3 Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52558-23-3.gif)
CAS RN: 52558-23-3
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2R)-
- Product code: SSC-159673
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
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
52558-23-3 / (2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
52558-23-3
Multi CAS
Yes
Molecular Formula
C8H15NO5
Molecular Weight
205.210000
Exact Mass
205.095023
InChI
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKey
JJCAYTVAYSGVLA-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
47.88
TPSA
95.86
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.1
Consensus LogP
-0.06
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4
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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