CAS RN: 2218463-36-4
BocNH-PEG12-OH
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.20260625 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2218463-36-4
- Purity/Analytical Methods: >99.0%
2218463-36-4 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2218463-36-4
Multi CAS
No
Molecular Formula
C29H59NO14
Molecular Weight
645.800000
Exact Mass
645.393556
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H59NO14/c1-29(2,3)44-28(32)30-4-6-33-8-10-35-12-14-37-16-18-39-20-22-41-24-26-43-27-25-42-23-21-40-19-17-38-15-13-36-11-9-34-7-5-31/h31H,4-27H2,1-3H3,(H,30,32)
InChIKey
PSQUYAYPIOHNGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.97
Rotatable bonds
35
H-bond acceptors
14
H-bond donors
2
Molar refractivity
160.33
TPSA
160.09
LogP / Solubility
WLOGP
0.69
MLOGP
0.66
XLogP3
-1.4
Consensus LogP
-0.02
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble
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)
-6.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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