CAS RN: 947601-98-1
N-HYDROXY-SUCCINIMIDY-PROPIONATE OCTA(ETHYLENE GLYCOL)-DISULFIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS947601-98-1
- Purity/Analytical Methods: >99.0%
947601-98-1 / (2,5-dioxopyrrolidin-1-yl) 3-[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]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
947601-98-1
Multi CAS
Yes
Molecular Formula
C46H80N2O24S2
Molecular Weight
1109.300000
Exact Mass
1108.454244
InChI
InChI=1S/C46H80N2O24S2/c49-41-1-2-42(50)47(41)71-45(53)5-7-55-9-11-57-13-15-59-17-19-61-21-23-63-25-27-65-29-31-67-33-35-69-37-39-73-74-40-38-70-36-34-68-32-30-66-28-26-64-24-22-62-20-18-60-16-14-58-12-10-56-8-6-46(54)72-48-43(51)3-4-44(48)52/h1-40H2
InChIKey
CIAGMHUFXZNZOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Fraction Csp3
0.87
Rotatable bonds
57
H-bond acceptors
26
Molar refractivity
261.61
TPSA
275.04
LogP / Solubility
WLOGP
0.63
MLOGP
0.66
XLogP3
-3.6
Consensus LogP
-0.77
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.23
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)
-9.04
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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