CAS RN: 13404-22-3
L-Alanine tert-Butyl Ester Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-041313
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, 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 2 In Stock | Shenzhen | Inquiry |
13404-22-3 / tert-butyl (2S)-2-aminopropanoate;hydrochloride
Basic Information
CAS
13404-22-3
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
C[C@@H](C(=O)OC(C)(C)C)N.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1
InChIKey
WIQIWPPQGWGVHD-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.74
TPSA
52.32
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (80%): 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
