CAS RN: 2204309-09-9
Mal-PEG4-Glu(OH)-NH-m-PEG24
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.20250504 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2204309-09-9
- Purity/Analytical Methods: >99.0%
2204309-09-9 / (4S)-4-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
Basic Information
CAS
2204309-09-9
Multi CAS
No
Molecular Formula
C72H134N4O35
Molecular Weight
1615.800000
Exact Mass
1614.882862
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C72H134N4O35/c1-84-14-15-88-22-23-92-28-29-94-32-33-96-36-37-98-40-41-100-44-45-102-48-49-104-52-53-106-56-57-108-60-61-110-64-65-111-63-62-109-59-58-107-55-54-105-51-50-103-47-46-101-43-42-99-39-38-97-35-34-95-31-30-93-27-26-91-21-18-87-13-9-74-72(83)66(2-5-71(81)82)75-68(78)7-11-85-16-19-89-24-25-90-20-17-86-12-8-73-67(77)6-10-76-69(79)3-4-70(76)80/h3-4,66H,2,5-65H2,1H3,(H,73,77)(H,74,83)(H,75,78)(H,81,82)/t66-/m0/s1
InChIKey
SLNDHPJTHXRBOW-FGKSCKJQSA-N
Computed Properties
Structural Parameters
Heavy atom count
111
Fraction Csp3
0.89
Rotatable bonds
95
H-bond acceptors
34
H-bond donors
4
Molar refractivity
393.9
TPSA
420.42
LogP / Solubility
WLOGP
-1.63
MLOGP
-1.27
XLogP3
-6.9
Consensus LogP
-3.27
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-11.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.21
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)
-13.74
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
4.5
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