CAS RN: 2563872-17-1
Acid-PEG25-NHS ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250521 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS2563872-17-1
- Purity/Analytical Methods: >99.0%
2563872-17-1 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2563872-17-1
Multi CAS
No
Molecular Formula
C58H109NO31
Molecular Weight
1316.500000
Exact Mass
1315.698356
InChI
InChI=1S/C58H109NO31/c60-55-1-2-56(61)59(55)90-58(64)4-6-66-8-10-68-12-14-70-16-18-72-20-22-74-24-26-76-28-30-78-32-34-80-36-38-82-40-42-84-44-46-86-48-50-88-52-54-89-53-51-87-49-47-85-45-43-83-41-39-81-37-35-79-33-31-77-29-27-75-25-23-73-21-19-71-17-15-69-13-11-67-9-7-65-5-3-57(62)63/h1-54H2,(H,62,63)
InChIKey
XZSKTNJHWDTIJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
90
Fraction Csp3
0.93
Rotatable bonds
79
H-bond acceptors
30
H-bond donors
1
Molar refractivity
314.52
TPSA
331.73
LogP / Solubility
WLOGP
-0.13
MLOGP
0.02
XLogP3
-5
Consensus LogP
-1.7
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-10.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.59
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)
-10.84
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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