CAS RN: 1964503-36-3
NH-(PEG2-t-butyl ester)2
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.20260128 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-092755
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: >97%
- Inventory rows with stock: 3
- 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.
1964503-36-3 / tert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethylamino]ethoxy]ethoxy]propanoate
Basic Information
CAS
1964503-36-3
Multi CAS
No
Molecular Formula
C22H43NO8
Molecular Weight
449.600000
Exact Mass
449.298867
SMILES
CC(C)(C)OC(=O)CCOCCOCCNCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C22H43NO8/c1-21(2,3)30-19(24)7-11-26-15-17-28-13-9-23-10-14-29-18-16-27-12-8-20(25)31-22(4,5)6/h23H,7-18H2,1-6H3
InChIKey
AFSYLABPPWEICE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.91
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
1
Molar refractivity
117.07
TPSA
101.55
LogP / Solubility
WLOGP
2.11
MLOGP
1.88
XLogP3
0.8
Consensus LogP
1.6
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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