CAS RN: 2101722-60-3
Mal-amido-PEG12-NHS 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.20250511 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2101722-60-3
- Purity/Analytical Methods: >99.0%
2101722-60-3 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2101722-60-3
Multi CAS
No
Molecular Formula
C38H63N3O19
Molecular Weight
865.900000
Exact Mass
865.405577
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C38H63N3O19/c42-33(5-8-40-34(43)1-2-35(40)44)39-7-10-49-12-14-51-16-18-53-20-22-55-24-26-57-28-30-59-32-31-58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-6-38(47)60-41-36(45)3-4-37(41)46/h1-2H,3-32H2,(H,39,42)
InChIKey
LWNZLSLPQXOOAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Fraction Csp3
0.79
Rotatable bonds
43
H-bond acceptors
19
H-bond donors
1
Molar refractivity
205.11
TPSA
240.92
LogP / Solubility
WLOGP
-1.39
MLOGP
-1.14
XLogP3
-4.1
Consensus LogP
-2.21
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.3
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)
-8.99
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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