CAS RN: 2408741-87-5
Mal-PEG4-Glu(TFP ester)-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.20250406 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2408741-87-5
- Purity/Analytical Methods: >99.0%
2408741-87-5 / (2,3,5,6-tetrafluorophenyl) 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-oxopentanoate
Basic Information
CAS
2408741-87-5
Multi CAS
No
Molecular Formula
C78H134F4N4O35
Molecular Weight
1763.900000
Exact Mass
1762.876475
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCC(=O)OC1=C(C(=CC(=C1F)F)F)F)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C78H134F4N4O35/c1-93-14-15-97-22-23-101-28-29-103-32-33-105-36-37-107-40-41-109-44-45-111-48-49-113-52-53-115-56-57-117-60-61-119-64-65-120-63-62-118-59-58-116-55-54-114-51-50-112-47-46-110-43-42-108-39-38-106-35-34-104-31-30-102-27-26-100-21-18-96-13-9-84-78(92)69(2-5-74(91)121-77-75(81)67(79)66-68(80)76(77)82)85-71(88)7-11-94-16-19-98-24-25-99-20-17-95-12-8-83-70(87)6-10-86-72(89)3-4-73(86)90/h3-4,66,69H,2,5-65H2,1H3,(H,83,87)(H,84,92)(H,85,88)
InChIKey
CSFNMNXCDRHNCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
121
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
96
H-bond acceptors
35
H-bond donors
3
Molar refractivity
418.18
TPSA
409.42
LogP / Solubility
WLOGP
0.45
MLOGP
0.58
XLogP3
-4.6
Consensus LogP
-1.19
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-14.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.02
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)
-13.16
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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