CAS RN: 128988-04-5
Di-tert-butyl 3,3′-Iminodipropionate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251026 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20251020 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: SSC-036175
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
128988-04-5 / tert-butyl 3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
Basic Information
CAS
128988-04-5
Multi CAS
No
Molecular Formula
C14H27NO4
Molecular Weight
273.370000
Exact Mass
273.194008
SMILES
CC(C)(C)OC(=O)CCNCCC(=O)OC(C)(C)C
InChI
InChI=1S/C14H27NO4/c1-13(2,3)18-11(16)7-9-15-10-8-12(17)19-14(4,5)6/h15H,7-10H2,1-6H3
InChIKey
KCTOWZYKZDFZMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.79
TPSA
64.63
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.4
Consensus LogP
1.75
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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