CAS RN: 2107273-44-7
Bis-(N,N’-carboxyl-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.20250822 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2107273-44-7
- Purity/Analytical Methods: >99.0%
2107273-44-7 / 3-[2-[2-[2-[2-[(2Z)-2-[(2E,4E)-5-[1-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
Basic Information
CAS
2107273-44-7
Multi CAS
No
Molecular Formula
C47H67ClN2O12
Molecular Weight
887.500000
Exact Mass
886.438253
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)O)(C)C)CCOCCOCCOCCOCCC(=O)O)C.[Cl-]
InChI
InChI=1S/C47H66N2O12.ClH/c1-46(2)38-12-8-10-14-40(38)48(20-24-56-28-32-60-36-34-58-30-26-54-22-18-44(50)51)42(46)16-6-5-7-17-43-47(3,4)39-13-9-11-15-41(39)49(43)21-25-57-29-33-61-37-35-59-31-27-55-23-19-45(52)53;/h5-17H,18-37H2,1-4H3,(H-,50,51,52,53);1H
InChIKey
UBSPVZSIHVIPMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
33
H-bond acceptors
11
H-bond donors
2
Molar refractivity
233.5
TPSA
154.69
LogP / Solubility
WLOGP
2.94
MLOGP
2.67
XLogP3
2.94
Consensus LogP
2.85
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.83
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)
-6.04
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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