![CAS 124184-67-4 D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124184-67-4.gif)
CAS RN: 124184-67-4
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
- Product code: SSC-028023
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, 10g, 25g, 100g, 1g, 500g
- Available purity: ＞98%
- 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 |
|---|---|---|---|---|
| 5g | ＞98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ＞98% | 5 In Stock | Beijing | Inquiry |
| 25g | ＞98% | 5 In Stock | Beijing | Inquiry |
| 100g | ＞98% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ＞98% | 2 In Stock | Shenzhen | Inquiry |
| 500g | ＞98% | 0 Out of Stock | Beijing | Inquiry |
124184-67-4 / (2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Basic Information
CAS
124184-67-4
Multi CAS
No
Molecular Formula
C10H17NO6
Molecular Weight
247.240000
Exact Mass
247.105587
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OC)C(=O)O
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m1/s1
InChIKey
WFPSMPYVXFVVFA-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.43
TPSA
101.93
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.4
Consensus LogP
0.47
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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