CAS RN: 1416777-48-4
t-Boc-N-amido-PEG4-(CH2)3CO2H
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.20260501 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1416777-48-4
- Purity/Analytical Methods: >99.0%
1416777-48-4 / 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
Basic Information
CAS
1416777-48-4
Multi CAS
No
Molecular Formula
C17H33NO8
Molecular Weight
379.400000
Exact Mass
379.220617
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCCC(=O)O
InChI
InChI=1S/C17H33NO8/c1-17(2,3)26-16(21)18-6-8-23-10-12-25-14-13-24-11-9-22-7-4-5-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
LIAJGFRNCJSOJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
2
Molar refractivity
94.38
TPSA
112.55
LogP / Solubility
WLOGP
1.44
MLOGP
1.29
XLogP3
0.2
Consensus LogP
0.98
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
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)
-4.01
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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