![CAS 1393524-16-7 (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393524-16-7.gif)
CAS RN: 1393524-16-7
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid
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.20250114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-049814
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: 5g, 0.05g, 0.1g, 0.25g, 1g
- Available purity: >98%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 0.05g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.05g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 0.1g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >98% | 0 Out of Stock | Shanghai | Inquiry |
1393524-16-7 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
Basic Information
CAS
1393524-16-7
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
SMILES
CC(C)(C)OC(=O)N[C@H](CC1CCOCC1)C(=O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-10(11(15)16)8-9-4-6-18-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKey
NKYZORHKIYSSEL-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.95
TPSA
84.86
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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