CAS RN: 2107273-76-5
N-(m-PEG4)-N’-(DBCO-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.20250518 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-76-5
- Purity/Analytical Methods: >99.0%
2107273-76-5 / N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide chloride
Basic Information
CAS
2107273-76-5
Multi CAS
No
Molecular Formula
C63H79ClN4O10
Molecular Weight
1087.800000
Exact Mass
1086.548472
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C63H78N4O10.ClH/c1-62(2)53-20-12-15-23-56(53)65(32-35-72-40-43-76-46-45-74-38-37-70-5)58(62)25-7-6-8-26-59-63(3,4)54-21-13-16-24-57(54)66(59)33-36-73-41-44-77-48-47-75-42-39-71-34-30-60(68)64-31-29-61(69)67-49-52-19-10-9-17-50(52)27-28-51-18-11-14-22-55(51)67;/h6-26H,29-49H2,1-5H3;1H
InChIKey
RDGUSQKZQVKRJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
24
Fraction Csp3
0.44
Rotatable bonds
33
H-bond acceptors
11
H-bond donors
1
Molar refractivity
302.35
TPSA
129.5
LogP / Solubility
WLOGP
5.47
MLOGP
4.92
XLogP3
5.47
Consensus LogP
5.29
Log S (ESOL)
-8.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.23
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)
-5.47
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
6
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