CAS RN: 2107273-54-9
N-(m-PEG4)-N’-(m-PEG4)-O-(m-PEG4)-O’-(propargyl-PEG4)-Cy5
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.20250813 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-54-9
- Purity/Analytical Methods: >99.0%
2107273-54-9 / (2Z)-2-[(2E,4E)-5-[5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethyl-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]indole chloride
Basic Information
CAS
2107273-54-9
Multi CAS
No
Molecular Formula
C63H99ClN2O18
Molecular Weight
1207.900000
Exact Mass
1206.658142
SMILES
CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3CCOCCOCCOCCOC)C=CC(=C4)OCCOCCOCCOCCOCC#C)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C63H99N2O18.ClH/c1-9-21-69-30-33-75-42-43-79-45-47-81-49-51-83-55-16-18-59-57(53-55)63(4,5)61(65(59)20-23-71-32-35-77-40-37-73-28-25-67-7)14-12-10-11-13-60-62(2,3)56-52-54(82-50-48-80-46-44-78-41-38-74-29-26-68-8)15-17-58(56)64(60)19-22-70-31-34-76-39-36-72-27-24-66-6;/h1,10-18,52-53H,19-51H2,2-8H3;1H/q+1;/p-1
InChIKey
AQXZWLODURMDEF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
84
Aromatic heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
54
H-bond acceptors
19
Molar refractivity
318.54
TPSA
172.39
LogP / Solubility
WLOGP
3.41
MLOGP
3.12
XLogP3
3.41
Consensus LogP
3.31
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-11.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-7.67
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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