CAS RN: 937025-17-7
dPEG(R)4-SATA (S-acetyl-dPEG(R)4-NHS ester)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS937025-17-7
- Purity/Analytical Methods: >99.0%
937025-17-7 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
937025-17-7
Multi CAS
No
Molecular Formula
C17H27NO9S
Molecular Weight
421.500000
Exact Mass
421.140653
InChI
InChI=1S/C17H27NO9S/c1-14(19)28-13-12-26-11-10-25-9-8-24-7-6-23-5-4-17(22)27-18-15(20)2-3-16(18)21/h2-13H2,1H3
InChIKey
RIXCZLCOQODDNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.76
Rotatable bonds
16
H-bond acceptors
10
Molar refractivity
98.21
TPSA
117.67
LogP / Solubility
WLOGP
0.33
MLOGP
0.32
XLogP3
-1
Consensus LogP
-0.12
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.06
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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