CAS RN: 1919044-99-7
NH-(PEG2-acid)2
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-089868
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: 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 |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Shanghai | Inquiry |
1919044-99-7 / 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1919044-99-7
Multi CAS
No
Molecular Formula
C14H27NO8
Molecular Weight
337.370000
Exact Mass
337.173667
SMILES
C(COCCOCCNCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C14H27NO8/c16-13(17)1-5-20-9-11-22-7-3-15-4-8-23-12-10-21-6-2-14(18)19/h15H,1-12H2,(H,16,17)(H,18,19)
InChIKey
JHTYGFBPZUBUIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
3
Molar refractivity
80.65
TPSA
123.55
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.34
XLogP3
-4.1
Consensus LogP
-1.62
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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