CAS RN: 2136296-33-6
Maleimide-NH-PEG12-CH2CH2COOPFP 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.20260208 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2136296-33-6
- Purity/Analytical Methods: >99.0%
2136296-33-6 / (2,3,4,5,6-pentafluorophenyl) 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
2136296-33-6
Multi CAS
No
Molecular Formula
C40H59F5N2O17
Molecular Weight
934.900000
Exact Mass
934.373389
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C40H59F5N2O17/c41-35-36(42)38(44)40(39(45)37(35)43)64-34(51)4-7-52-9-11-54-13-15-56-17-19-58-21-23-60-25-27-62-29-30-63-28-26-61-24-22-59-20-18-57-16-14-55-12-10-53-8-5-46-31(48)3-6-47-32(49)1-2-33(47)50/h1-2H,3-30H2,(H,46,48)
InChIKey
WSAJQONVXDZRRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
43
H-bond acceptors
17
H-bond donors
1
Molar refractivity
209.8
TPSA
203.54
LogP / Solubility
WLOGP
1.31
MLOGP
1.24
XLogP3
-1.2
Consensus LogP
0.45
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.49
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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