CAS RN: 2107273-50-5
N-methyl-N’-methyl-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.20251023 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-50-5
- Purity/Analytical Methods: >99.0%
2107273-50-5 / 2-[5-[5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethyl-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]indole chloride
Basic Information
CAS
2107273-50-5
Multi CAS
No
Molecular Formula
C47H67ClN2O10
Molecular Weight
855.500000
Exact Mass
854.448424
SMILES
CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1C=CC=CC=C3C(C4=C(N3C)C=CC(=C4)OCCOCCOCCOCCOCC#C)(C)C)C)C.[Cl-]
InChI
InChI=1S/C47H67N2O10.ClH/c1-9-19-51-22-23-53-26-27-55-29-31-57-33-35-59-39-16-18-43-41(37-39)47(4,5)45(49(43)7)14-12-10-11-13-44-46(2,3)40-36-38(15-17-42(40)48(44)6)58-34-32-56-30-28-54-25-24-52-21-20-50-8;/h1,10-18,36-37H,19-35H2,2-8H3;1H/q+1;/p-1
InChIKey
XQTUJSZRBUKFNO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
30
H-bond acceptors
11
Molar refractivity
231.99
TPSA
98.55
LogP / Solubility
WLOGP
3.27
MLOGP
2.96
XLogP3
3.27
Consensus LogP
3.17
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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