CAS RN: 1333154-70-3
NHS-PEG4-(m-PEG4)3-ester
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.20250718 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1333154-70-3
- Purity/Analytical Methods: >99.0%
1333154-70-3 / (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
Basic Information
CAS
1333154-70-3
Multi CAS
No
Molecular Formula
C60H110N6O28
Molecular Weight
1363.500000
Exact Mass
1362.736807
SMILES
COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C60H110N6O28/c1-75-25-28-83-41-44-87-37-33-80-22-14-62-53(68)9-18-91-49-60(50-92-19-10-54(69)63-15-23-81-34-38-88-45-42-84-29-26-76-2,51-93-20-11-55(70)64-16-24-82-35-39-89-46-43-85-30-27-77-3)65-56(71)12-17-78-31-36-86-47-48-90-40-32-79-21-13-61-52(67)5-4-6-59(74)94-66-57(72)7-8-58(66)73/h4-51H2,1-3H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)
InChIKey
CPFQBAXMDMJPOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
94
Fraction Csp3
0.87
Rotatable bonds
72
H-bond acceptors
28
H-bond donors
5
Molar refractivity
331.14
TPSA
384.55
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.75
XLogP3
-7.2
Consensus LogP
-3.7
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.56
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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