CAS RN: 2107273-26-5
N-(m-PEG9)-N’-(PEG5-acid)-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.20251224 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-26-5
- Purity/Analytical Methods: >99.0%
2107273-26-5 / 3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
Basic Information
CAS
2107273-26-5
Multi CAS
No
Molecular Formula
C57H89ClN2O16
Molecular Weight
1093.800000
Exact Mass
1092.590062
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCOCCOCCOCCOCCOC)(C)C)CCOCCOCCOCCOCCOCCC(=O)O)C.[Cl-]
InChI
InChI=1S/C57H88N2O16.ClH/c1-56(2)49-13-9-11-15-51(49)58(20-23-64-28-31-68-36-39-71-38-35-67-30-27-63-22-19-55(60)61)53(56)17-7-6-8-18-54-57(3,4)50-14-10-12-16-52(50)59(54)21-24-65-29-32-69-37-40-72-43-44-74-47-48-75-46-45-73-42-41-70-34-33-66-26-25-62-5;/h6-18H,19-48H2,1-5H3;1H
InChIKey
UGQMQMLGHBYOHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
12
Fraction Csp3
0.65
Rotatable bonds
48
H-bond acceptors
16
H-bond donors
1
Molar refractivity
287.22
TPSA
172.77
LogP / Solubility
WLOGP
3.2
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-10.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.18
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)
-7.12
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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